4-[[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate

Systemtic Name: 4-[[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate Openeye Name: 4-[[2-(4-methylanilino)-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 4-[[[2-(4-methylanilino)-2-oxoethyl]thio]methyl]benzoate IUPAC Name: 4-[[2-(4-methylanilino)-2-oxoethyl]sulfanylmethyl]benzoate Traditional Name: 4-[[[2-keto-2-(p-toluidino)ethyl]thio]methyl]benzoate Formula: C17H16NO3S- MolecularWeight: 314.37884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C17H17NO3S/c1-12-2-8-15(9-3-12)18-16(19)11-22-10-13-4-6-14(7-5-13)17(20)21/h2-9H,10-11H2,1H3,(H,18,19)(H,20,21)/p-1