4-(3-chlorophenyl)carbonyl-5-(3-nitrophenyl)-1-(phenylcarbamoyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(3-chlorophenyl)carbonyl-5-(3-nitrophenyl)-1-(phenylcarbamoyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-5-(3-nitrophenyl)-1-(phenylcarbamoyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[anilino(oxo)methyl]-4-[(3-chlorophenyl)-oxomethyl]-5-(3-nitrophenyl)-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-5-(3-nitrophenyl)-1-(phenylcarbamoyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-5-(3-nitrophenyl)-1-(phenylcarbamoyl)-3-(2-thienyl)proline Formula: C29H22ClN3O6S MolecularWeight: 576.01948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=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

C1=CC=C(C=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/C29H22ClN3O6S/c30-19-9-4-8-18(15-19)27(34)24-23(22-13-6-14-40-22)26(28(35)36)32(29(37)31-20-10-2-1-3-11-20)25(24)17-7-5-12-21(16-17)33(38)39/h1-16,23-26H,(H,31,37)(H,35,36)