(phenylmethyl) 2-[(3,5-dimethyl-4-sulfanyl-phenyl)amino]-2-oxidanylidene-ethanoate

Systemtic Name: (phenylmethyl) 2-[(3,5-dimethyl-4-sulfanyl-phenyl)amino]-2-oxidanylidene-ethanoate Openeye Name: benzyl 2-(3,5-dimethyl-4-sulfanyl-anilino)-2-oxo-acetate CAS Name: 2-(4-mercapto-3,5-dimethylanilino)-2-oxoacetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3,5-dimethyl-4-sulfanylanilino)-2-oxoacetate Traditional Name: 2-keto-2-(4-mercapto-3,5-dimethyl-anilino)acetic acid benzyl ester Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S)C)NC(=O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC(=C1S)C)NC(=O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H17NO3S/c1-11-8-14(9-12(2)15(11)22)18-16(19)17(20)21-10-13-6-4-3-5-7-13/h3-9,22H,10H2,1-2H3,(H,18,19)