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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > isopropyl ester > 4-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-3-oxobutanoic acid propan-2-yl ester
organooxygen compound > carbonyl compound > carboxylic ester > isopropyl ester > 4-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-3-oxobutanoic acid propan-2-yl ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > isopropyl ester > 4-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-3-oxobutanoic acid propan-2-yl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > isopropyl ester > 4-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-3-oxobutanoic acid propan-2-yl ester

Preferred term

4-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-3-oxobutanoic acid propan-2-yl ester  

Type

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

Broader concept

charge

  • 0

formula

  • C15H18N2O3S

inchi

  • InChI=1S/C15H18N2O3S/c1-9(2)20-14(19)6-12(18)8-21-15-13(7-16)10(3)5-11(4)17-15/h5,9H,6,8H2,1-4H3

inchikey

  • OKMAODFZGKOCAH-UHFFFAOYSA-N

mass

  • 306.382

monoisotopicmass

  • 306.10381

smiles

  • CC1=CC(=NC(=C1C#N)SCC(=O)CC(=O)OC(C)C)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:123414

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