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

Systemtic Name: (phenylmethyl) 2-[[5-cyano-4-(3-methylthiophen-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[[5-cyano-4-(3-methyl-2-thienyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate CAS Name: 2-[[5-cyano-4-(3-methyl-2-thiophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[5-cyano-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyano-2-keto-4-(3-methyl-2-thienyl)-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid benzyl ester Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2CC(=O)NC(=C2C#N)SCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC=C1)C2CC(=O)NC(=C2C#N)SCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H18N2O3S2/c1-13-7-8-26-19(13)15-9-17(23)22-20(16(15)10-21)27-12-18(24)25-11-14-5-3-2-4-6-14/h2-8,15H,9,11-12H2,1H3,(H,22,23)