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Concept information

... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > 2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3h-quinoline-3-carboxylic acid propyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > 2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3h-quinoline-3-carboxylic acid propyl ester

Preferred term

2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3h-quinoline-3-carboxylic acid propyl ester  

Type

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

Broader concept

charge

  • 0

formula

  • C18H21NO3S

inchi

  • InChI=1S/C18H21NO3S/c1-3-9-22-18(21)15-11(2)19-12-6-4-7-13(20)16(12)17(15)14-8-5-10-23-14/h5,8,10,15,17H,3-4,6-7,9H2,1-2H3

inchikey

  • SRRQGJHZWQUMGX-UHFFFAOYSA-N

mass

  • 331.431

monoisotopicmass

  • 331.12421

smiles

  • CCCOC(=O)C1C(C2=C(CCCC2=O)N=C1C)C3=CC=CS3

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:105286

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