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

Systemtic Name: 3-(4-chlorophenyl)-1-cyclopropylcarbonyl-2-methyl-5-(3-nitrophenyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-chlorophenyl)-1-(cyclopropanecarbonyl)-2-methyl-5-(3-nitrophenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-chlorophenyl)-1-[cyclopropyl(oxo)methyl]-2-methyl-5-(3-nitrophenyl)-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-chlorophenyl)-1-(cyclopropanecarbonyl)-2-methyl-5-(3-nitrophenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-chlorophenyl)-1-(cyclopropanecarbonyl)-2-methyl-5-(3-nitrophenyl)-4-(2-thenoyl)proline Formula: C27H23ClN2O6S MolecularWeight: 538.99932

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)C2CC2)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)C2CC2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CS4)C5=CC=C(C=C5)Cl)C(=O)O

InChI

InChI=1S/C27H23ClN2O6S/c1-27(26(33)34)22(15-9-11-18(28)12-10-15)21(24(31)20-6-3-13-37-20)23(29(27)25(32)16-7-8-16)17-4-2-5-19(14-17)30(35)36/h2-6,9-14,16,21-23H,7-8H2,1H3,(H,33,34)