[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-methylbenzoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-methylbenzoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)SC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)SC

InChI

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