ethyl 2-[[5-cyano-4-(4-hydroxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-cyano-4-(4-hydroxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate CAS Name: 2-[[5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyano-4-(4-hydroxyphenyl)-2-keto-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid ethyl ester Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)O)C#N

Isomeric SMILES

CCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)O)C#N

InChI

InChI=1S/C16H16N2O4S/c1-2-22-15(21)9-23-16-13(8-17)12(7-14(20)18-16)10-3-5-11(19)6-4-10/h3-6,12,19H,2,7,9H2,1H3,(H,18,20)