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

Systemtic Name: (4-phenylphenyl)methyl 2-[(3-cyano-4-methyl-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]ethanoate Openeye Name: (4-phenylphenyl)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-phenylphenyl)methyl ester IUPAC Name: (4-phenylphenyl)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-phenylbenzyl) ester Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)NC(=C1C#N)SCC(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)NC(=C1C#N)SCC(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H18N2O3S/c1-15-11-20(25)24-22(19(15)12-23)28-14-21(26)27-13-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-11H,13-14H2,1H3,(H,24,25)