3-(4-chlorophenyl)-2-methyl-1-[(3-methylphenyl)carbamoyl]-5-(3-nitrophenyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3-(4-chlorophenyl)-2-methyl-1-[(3-methylphenyl)carbamoyl]-5-(3-nitrophenyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-chlorophenyl)-2-methyl-1-(m-tolylcarbamoyl)-5-(3-nitrophenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-chlorophenyl)-2-methyl-1-[(3-methylanilino)-oxomethyl]-5-(3-nitrophenyl)-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-chlorophenyl)-2-methyl-1-[(3-methylphenyl)carbamoyl]-5-(3-nitrophenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-chlorophenyl)-2-methyl-1-(m-tolylcarbamoyl)-5-(3-nitrophenyl)-4-(2-thenoyl)proline Formula: C31H26ClN3O6S MolecularWeight: 604.07264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2C(C(C(C2(C)C(=O)O)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CS4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2C(C(C(C2(C)C(=O)O)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CS4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H26ClN3O6S/c1-18-6-3-8-22(16-18)33-30(39)34-27(20-7-4-9-23(17-20)35(40)41)25(28(36)24-10-5-15-42-24)26(31(34,2)29(37)38)19-11-13-21(32)14-12-19/h3-17,25-27H,1-2H3,(H,33,39)(H,37,38)