[(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-thiophen-2-ylpropanoate

Systemtic Name: [(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-thiophen-2-ylpropanoate Openeye Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 3-(2-thienyl)propanoate CAS Name: 3-thiophen-2-ylpropanoic acid [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 3-thiophen-2-ylpropanoate Traditional Name: 3-(2-thienyl)propionic acid [(1S)-2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C23H23NO3S MolecularWeight: 393.49862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)CCC3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)CCC3=CC=CS3

InChI

InChI=1S/C23H23NO3S/c1-16-10-11-17(2)20(15-16)24-23(26)22(18-7-4-3-5-8-18)27-21(25)13-12-19-9-6-14-28-19/h3-11,14-15,22H,12-13H2,1-2H3,(H,24,26)/t22-/m0/s1