(phenylmethyl) 2-[(3-cyano-4-methyl-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[(3-cyano-4-methyl-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]ethanoate Openeye Name: benzyl 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-cyano-6-keto-4-methyl-1H-pyridin-2-yl)thio]acetic acid benzyl ester Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)NC(=C1C#N)SCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=O)NC(=C1C#N)SCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H14N2O3S/c1-11-7-14(19)18-16(13(11)8-17)22-10-15(20)21-9-12-5-3-2-4-6-12/h2-7H,9-10H2,1H3,(H,18,19)