[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(2-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(2-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] (3S)-1-(2-ethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2-ethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2CC(CC2=O)C(=O)OCC(=O)NC3=CC=CC=C3SC

Isomeric SMILES

CCC1=CC=CC=C1N2C[C@H](CC2=O)C(=O)OCC(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C22H24N2O4S/c1-3-15-8-4-6-10-18(15)24-13-16(12-21(24)26)22(27)28-14-20(25)23-17-9-5-7-11-19(17)29-2/h4-11,16H,3,12-14H2,1-2H3,(H,23,25)/t16-/m0/s1