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

Systemtic Name: (4-chlorophenyl)methyl 2-[(3-cyano-4-methyl-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]ethanoate Openeye Name: (4-chlorophenyl)methyl 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 (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl 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 (4-chlorobenzyl) ester Formula: C16H13ClN2O3S MolecularWeight: 348.80402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN2O3S/c1-10-6-14(20)19-16(13(10)7-18)23-9-15(21)22-8-11-2-4-12(17)5-3-11/h2-6H,8-9H2,1H3,(H,19,20)