[(2R)-1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-phenylsulfanylpropanoate

Systemtic Name: [(2R)-1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-phenylsulfanylpropanoate Openeye Name: [(1R)-2-(4-methoxyanilino)-1-methyl-2-oxo-ethyl] (2S)-2-phenylsulfanylpropanoate CAS Name: (2S)-2-(phenylthio)propanoic acid [(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-phenylsulfanylpropanoate Traditional Name: (2S)-2-(phenylthio)propionic acid [(1R)-2-keto-1-methyl-2-(p-anisidino)ethyl] ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC)OC(=O)C(C)SC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)OC)OC(=O)[C@H](C)SC2=CC=CC=C2

InChI

InChI=1S/C19H21NO4S/c1-13(18(21)20-15-9-11-16(23-3)12-10-15)24-19(22)14(2)25-17-7-5-4-6-8-17/h4-14H,1-3H3,(H,20,21)/t13-,14+/m1/s1