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

Systemtic Name: 4-(3-chlorophenyl)carbonyl-1-[(3-methylphenyl)carbamoyl]-5-(3-nitrophenyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-1-(m-tolylcarbamoyl)-5-(3-nitrophenyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)-oxomethyl]-1-[(3-methylanilino)-oxomethyl]-5-(3-nitrophenyl)-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-1-[(3-methylphenyl)carbamoyl]-5-(3-nitrophenyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-1-(m-tolylcarbamoyl)-5-(3-nitrophenyl)-3-(2-thienyl)proline Formula: C30H24ClN3O6S MolecularWeight: 590.04606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2C(C(C(C2C(=O)O)C3=CC=CS3)C(=O)C4=CC(=CC=C4)Cl)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2C(C(C(C2C(=O)O)C3=CC=CS3)C(=O)C4=CC(=CC=C4)Cl)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C30H24ClN3O6S/c1-17-6-2-10-21(14-17)32-30(38)33-26(18-7-4-11-22(16-18)34(39)40)25(28(35)19-8-3-9-20(31)15-19)24(27(33)29(36)37)23-12-5-13-41-23/h2-16,24-27H,1H3,(H,32,38)(H,36,37)