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

Systemtic Name: (4-methylphenyl)methyl 2-[(3-cyano-4-methyl-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]ethanoate Openeye Name: p-tolylmethyl 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-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)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-methylbenzyl) ester Formula: C17H16N2O3S MolecularWeight: 328.38554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)CSC2=C(C(=CC(=O)N2)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)CSC2=C(C(=CC(=O)N2)C)C#N

InChI

InChI=1S/C17H16N2O3S/c1-11-3-5-13(6-4-11)9-22-16(21)10-23-17-14(8-18)12(2)7-15(20)19-17/h3-7H,9-10H2,1-2H3,(H,19,20)