[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-methylphenyl)-5-oxidanylidene-2-thiophen-2-yl-pyrrolidine-3-carboxylate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-methylphenyl)-5-oxidanylidene-2-thiophen-2-yl-pyrrolidine-3-carboxylate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 5-oxo-1-(p-tolyl)-2-(2-thienyl)pyrrolidine-3-carboxylate CAS Name: 1-(4-methylphenyl)-5-oxo-2-thiophen-2-yl-3-pyrrolidinecarboxylic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxylate Traditional Name: 5-keto-1-(p-tolyl)-2-(2-thienyl)pyrrolidine-3-carboxylic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C26H23N3O4S MolecularWeight: 473.54352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CC2=O)C(=O)OCC(=O)N(CC#N)C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(C(CC2=O)C(=O)OCC(=O)N(CC#N)C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C26H23N3O4S/c1-18-9-11-20(12-10-18)29-23(30)16-21(25(29)22-8-5-15-34-22)26(32)33-17-24(31)28(14-13-27)19-6-3-2-4-7-19/h2-12,15,21,25H,14,16-17H2,1H3