4-methoxycarbonyl-2-(2-methylpropyl)-1-(4-nitrophenyl)carbonyl-5-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-methoxycarbonyl-2-(2-methylpropyl)-1-(4-nitrophenyl)carbonyl-5-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 2-isobutyl-4-methoxycarbonyl-1-(4-nitrobenzoyl)-5-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-methoxycarbonyl-2-(2-methylpropyl)-1-[(4-nitrophenyl)-oxomethyl]-5-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-methoxycarbonyl-2-(2-methylpropyl)-1-(4-nitrobenzoyl)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-carbomethoxy-2-isobutyl-1-(4-nitrobenzoyl)-5-(2-thienyl)proline Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(CC(C(N1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3)C(=O)OC)C(=O)O

Isomeric SMILES

CC(C)CC1(CC(C(N1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3)C(=O)OC)C(=O)O

InChI

InChI=1S/C22H24N2O7S/c1-13(2)11-22(21(27)28)12-16(20(26)31-3)18(17-5-4-10-32-17)23(22)19(25)14-6-8-15(9-7-14)24(29)30/h4-10,13,16,18H,11-12H2,1-3H3,(H,27,28)