[(2S)-1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylsulfanylbenzoate

Systemtic Name: [(2S)-1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylsulfanylbenzoate Openeye Name: [(1S)-2-(4-chloroanilino)-1-methyl-2-oxo-ethyl] 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid [(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid [(1S)-2-(4-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H16ClNO3S MolecularWeight: 349.83184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Cl)OC(=O)C2=CC=CC=C2SC

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)Cl)OC(=O)C2=CC=CC=C2SC

InChI

InChI=1S/C17H16ClNO3S/c1-11(16(20)19-13-9-7-12(18)8-10-13)22-17(21)14-5-3-4-6-15(14)23-2/h3-11H,1-2H3,(H,19,20)/t11-/m0/s1