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Chemistry, part 2

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Concept information

organooxygen compound > ether > aromatic ether > acetic acid [2-ethoxy-6-nitro-4-[[5-oxo-2-(prop-2-enylthio)-4-thiazolylidene]methyl]phenyl] ester
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > aromatic ether > acetic acid [2-ethoxy-6-nitro-4-[[5-oxo-2-(prop-2-enylthio)-4-thiazolylidene]methyl]phenyl] ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > acetic acid [2-ethoxy-6-nitro-4-[[5-oxo-2-(prop-2-enylthio)-4-thiazolylidene]methyl]phenyl] ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > acetic acid [2-ethoxy-6-nitro-4-[[5-oxo-2-(prop-2-enylthio)-4-thiazolylidene]methyl]phenyl] ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > nitro compound > c-nitro compound > acetic acid [2-ethoxy-6-nitro-4-[[5-oxo-2-(prop-2-enylthio)-4-thiazolylidene]methyl]phenyl] ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > c-nitro compound > acetic acid [2-ethoxy-6-nitro-4-[[5-oxo-2-(prop-2-enylthio)-4-thiazolylidene]methyl]phenyl] ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > c-nitro compound > acetic acid [2-ethoxy-6-nitro-4-[[5-oxo-2-(prop-2-enylthio)-4-thiazolylidene]methyl]phenyl] ester

Preferred term

acetic acid [2-ethoxy-6-nitro-4-[[5-oxo-2-(prop-2-enylthio)-4-thiazolylidene]methyl]phenyl] ester  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C17H16N2O6S2

inchi

  • InChI=1S/C17H16N2O6S2/c1-4-6-26-17-18-12(16(21)27-17)7-11-8-13(19(22)23)15(25-10(3)20)14(9-11)24-5-2/h4,7-9H,1,5-6H2,2-3H3

inchikey

  • VGKDCUBFONAPQD-UHFFFAOYSA-N

mass

  • 408.452

monoisotopicmass

  • 408.04498

smiles

  • CCOC1=CC(=CC(=C1OC(=O)C)[N+](=O)[O-])C=C2C(=O)SC(=N2)SCC=C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:107475

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