[(2R)-1-[(2-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-phenylsulfanylpropanoate

Systemtic Name: [(2R)-1-[(2-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-phenylsulfanylpropanoate Openeye Name: [(1R)-2-(2-chloroanilino)-1-methyl-2-oxo-ethyl] (2S)-2-phenylsulfanylpropanoate CAS Name: (2S)-2-(phenylthio)propanoic acid [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] (2S)-2-phenylsulfanylpropanoate Traditional Name: (2S)-2-(phenylthio)propionic acid [(1R)-2-(2-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1Cl)OC(=O)C(C)SC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1Cl)OC(=O)[C@H](C)SC2=CC=CC=C2

InChI

InChI=1S/C18H18ClNO3S/c1-12(17(21)20-16-11-7-6-10-15(16)19)23-18(22)13(2)24-14-8-4-3-5-9-14/h3-13H,1-2H3,(H,20,21)/t12-,13+/m1/s1