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

Systemtic Name: [(2S)-1-[(2-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-chlorophenyl)-4-oxidanylidene-butanoate Openeye Name: [(1S)-1-methyl-2-(2-methylsulfanylanilino)-2-oxo-ethyl] 4-(4-chlorophenyl)-4-oxo-butanoate CAS Name: 4-(4-chlorophenyl)-4-oxobutanoic acid [(2S)-1-[2-(methylthio)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylsulfanylanilino)-1-oxopropan-2-yl] 4-(4-chlorophenyl)-4-oxobutanoate Traditional Name: 4-(4-chlorophenyl)-4-keto-butyric acid [(1S)-2-keto-1-methyl-2-[2-(methylthio)anilino]ethyl] ester Formula: C20H20ClNO4S MolecularWeight: 405.8951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClNO4S/c1-13(20(25)22-16-5-3-4-6-18(16)27-2)26-19(24)12-11-17(23)14-7-9-15(21)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,22,25)/t13-/m0/s1