[(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(thiophen-2-ylmethylsulfanyl)ethanoate

Systemtic Name: [(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(thiophen-2-ylmethylsulfanyl)ethanoate Openeye Name: [(1S)-2-(4-methylanilino)-2-oxo-1-phenyl-ethyl] 2-(2-thienylmethylsulfanyl)acetate CAS Name: 2-(thiophen-2-ylmethylthio)acetic acid [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate Traditional Name: 2-(2-thenylthio)acetic acid [(1S)-2-keto-1-phenyl-2-(p-toluidino)ethyl] ester Formula: C22H21NO3S2 MolecularWeight: 411.53704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)CSCC3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)CSCC3=CC=CS3

InChI

InChI=1S/C22H21NO3S2/c1-16-9-11-18(12-10-16)23-22(25)21(17-6-3-2-4-7-17)26-20(24)15-27-14-19-8-5-13-28-19/h2-13,21H,14-15H2,1H3,(H,23,25)/t21-/m0/s1