methyl 5-[(4-methylphenyl)methylcarbamoyl]-2-(2-nitrophenyl)-1-thiophen-2-ylcarbonyl-pyrrolidine-3-carboxylate

Systemtic Name: methyl 5-[(4-methylphenyl)methylcarbamoyl]-2-(2-nitrophenyl)-1-thiophen-2-ylcarbonyl-pyrrolidine-3-carboxylate Openeye Name: methyl 2-(2-nitrophenyl)-5-(p-tolylmethylcarbamoyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylate CAS Name: 5-[[(4-methylphenyl)methylamino]-oxomethyl]-2-(2-nitrophenyl)-1-[oxo(thiophen-2-yl)methyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-methylphenyl)methylcarbamoyl]-2-(2-nitrophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylate Traditional Name: 5-[(4-methylbenzyl)carbamoyl]-2-(2-nitrophenyl)-1-(2-thenoyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C26H25N3O6S MolecularWeight: 507.5582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2C(=O)C3=CC=CS3)C4=CC=CC=C4[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2C(=O)C3=CC=CS3)C4=CC=CC=C4[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C26H25N3O6S/c1-16-9-11-17(12-10-16)15-27-24(30)21-14-19(26(32)35-2)23(18-6-3-4-7-20(18)29(33)34)28(21)25(31)22-8-5-13-36-22/h3-13,19,21,23H,14-15H2,1-2H3,(H,27,30)