[2-[[4-(3,4-dimethylphenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] (2R)-5-oxidanylidenepyrrolidine-2-carboxylate

Systemtic Name: [2-[[4-(3,4-dimethylphenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] (2R)-5-oxidanylidenepyrrolidine-2-carboxylate Openeye Name: [2-[4-(3,4-dimethylphenyl)sulfanylanilino]-2-oxo-ethyl] (2R)-5-oxopyrrolidine-2-carboxylate CAS Name: (2R)-5-oxo-2-pyrrolidinecarboxylic acid [2-[4-[(3,4-dimethylphenyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(3,4-dimethylphenyl)sulfanylanilino]-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate Traditional Name: (2R)-5-ketopyrrolidine-2-carboxylic acid [2-[4-[(3,4-dimethylphenyl)thio]anilino]-2-keto-ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)COC(=O)C3CCC(=O)N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)COC(=O)[C@H]3CCC(=O)N3)C

InChI

InChI=1S/C21H22N2O4S/c1-13-3-6-17(11-14(13)2)28-16-7-4-15(5-8-16)22-20(25)12-27-21(26)18-9-10-19(24)23-18/h3-8,11,18H,9-10,12H2,1-2H3,(H,22,25)(H,23,24)/t18-/m1/s1