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

Systemtic Name: (phenylmethyl) 2-[[5-cyano-4-(4-hydroxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=C(NC1=O)SCC(=O)OCC2=CC=CC=C2)C#N)C3=CC=C(C=C3)O

Isomeric SMILES

C1C(C(=C(NC1=O)SCC(=O)OCC2=CC=CC=C2)C#N)C3=CC=C(C=C3)O

InChI

InChI=1S/C21H18N2O4S/c22-11-18-17(15-6-8-16(24)9-7-15)10-19(25)23-21(18)28-13-20(26)27-12-14-4-2-1-3-5-14/h1-9,17,24H,10,12-13H2,(H,23,25)