[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-phenylbutanoate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-phenylbutanoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 3-phenylbutanoate CAS Name: 3-phenylbutanoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 3-phenylbutanoate Traditional Name: 3-phenylbutyric acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC(=O)NC1=CC=CC=C1SC)C2=CC=CC=C2

Isomeric SMILES

CC(CC(=O)OCC(=O)NC1=CC=CC=C1SC)C2=CC=CC=C2

InChI

InChI=1S/C19H21NO3S/c1-14(15-8-4-3-5-9-15)12-19(22)23-13-18(21)20-16-10-6-7-11-17(16)24-2/h3-11,14H,12-13H2,1-2H3,(H,20,21)