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

Systemtic Name: [(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-thiophen-3-ylethanoate Openeye Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 2-(3-thienyl)acetate CAS Name: 2-(3-thiophenyl)acetic acid [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-thiophen-3-ylacetate Traditional Name: 2-(3-thienyl)acetic acid [(1S)-2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C22H21NO3S MolecularWeight: 379.47204

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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)CC3=CSC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)CC3=CSC=C3

InChI

InChI=1S/C22H21NO3S/c1-15-8-9-16(2)19(12-15)23-22(25)21(18-6-4-3-5-7-18)26-20(24)13-17-10-11-27-14-17/h3-12,14,21H,13H2,1-2H3,(H,23,25)/t21-/m0/s1