3-(4-chlorophenyl)-2-methyl-5-(3-nitrophenyl)-1-(phenylcarbamoyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3-(4-chlorophenyl)-2-methyl-5-(3-nitrophenyl)-1-(phenylcarbamoyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-chlorophenyl)-2-methyl-5-(3-nitrophenyl)-1-(phenylcarbamoyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[anilino(oxo)methyl]-3-(4-chlorophenyl)-2-methyl-5-(3-nitrophenyl)-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-chlorophenyl)-2-methyl-5-(3-nitrophenyl)-1-(phenylcarbamoyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-chlorophenyl)-2-methyl-5-(3-nitrophenyl)-1-(phenylcarbamoyl)-4-(2-thenoyl)proline Formula: C30H24ClN3O6S MolecularWeight: 590.04606

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)NC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CS4)C5=CC=C(C=C5)Cl)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)NC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CS4)C5=CC=C(C=C5)Cl)C(=O)O

InChI

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