[(2S)-1-[(2-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [(2S)-1-[(2-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [(1S)-1-methyl-2-(2-methylsulfanylanilino)-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [(2S)-1-[2-(methylthio)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylsulfanylanilino)-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [(1S)-2-keto-1-methyl-2-[2-(methylthio)anilino]ethyl] ester Formula: C17H17ClN2O3S MolecularWeight: 364.84648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)OC(=O)C2=CC(=C(C=C2)Cl)N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1SC)OC(=O)C2=CC(=C(C=C2)Cl)N

InChI

InChI=1S/C17H17ClN2O3S/c1-10(16(21)20-14-5-3-4-6-15(14)24-2)23-17(22)11-7-8-12(18)13(19)9-11/h3-10H,19H2,1-2H3,(H,20,21)/t10-/m0/s1