[(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-thiophen-3-ylpropanoate

Systemtic Name: [(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-thiophen-3-ylpropanoate Openeye Name: [(1S)-2-(4-methylanilino)-2-oxo-1-phenyl-ethyl] 3-(3-thienyl)propanoate CAS Name: 3-(3-thiophenyl)propanoic acid [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 3-thiophen-3-ylpropanoate Traditional Name: 3-(3-thienyl)propionic acid [(1S)-2-keto-1-phenyl-2-(p-toluidino)ethyl] ester Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)CCC3=CSC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)CCC3=CSC=C3

InChI

InChI=1S/C22H21NO3S/c1-16-7-10-19(11-8-16)23-22(25)21(18-5-3-2-4-6-18)26-20(24)12-9-17-13-14-27-15-17/h2-8,10-11,13-15,21H,9,12H2,1H3,(H,23,25)/t21-/m0/s1