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

Systemtic Name: (phenylmethyl) 2-[(5-cyano-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]ethanoate Openeye Name: benzyl 2-[[5-cyano-2-oxo-4-(2-thienyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate CAS Name: 2-[(5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]acetate Traditional Name: 2-[[5-cyano-2-keto-4-(2-thienyl)-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid benzyl ester Formula: C19H16N2O3S2 MolecularWeight: 384.47194

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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=CS3

Isomeric SMILES

C1C(C(=C(NC1=O)SCC(=O)OCC2=CC=CC=C2)C#N)C3=CC=CS3

InChI

InChI=1S/C19H16N2O3S2/c20-10-15-14(16-7-4-8-25-16)9-17(22)21-19(15)26-12-18(23)24-11-13-5-2-1-3-6-13/h1-8,14H,9,11-12H2,(H,21,22)