[(2S)-1-[(2-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [(2S)-1-[(2-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [(1S)-2-(2-acetylanilino)-1-methyl-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [(1S)-2-(2-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OC(C)C(=O)NC2=CC=CC=C2C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)O[C@@H](C)C(=O)NC2=CC=CC=C2C(=O)C

InChI

InChI=1S/C21H23NO4S/c1-14-8-10-17(11-9-14)27-13-12-20(24)26-16(3)21(25)22-19-7-5-4-6-18(19)15(2)23/h4-11,16H,12-13H2,1-3H3,(H,22,25)/t16-/m0/s1