4-(5-chloranylthiophen-2-yl)carbonyl-1-cyclobutylcarbonyl-3-(3-methoxyphenyl)-2-methyl-5-(3-nitrophenyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(5-chloranylthiophen-2-yl)carbonyl-1-cyclobutylcarbonyl-3-(3-methoxyphenyl)-2-methyl-5-(3-nitrophenyl)pyrrolidine-2-carboxylic acid Openeye Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclobutanecarbonyl)-3-(3-methoxyphenyl)-2-methyl-5-(3-nitrophenyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(5-chloro-2-thiophenyl)-oxomethyl]-1-[cyclobutyl(oxo)methyl]-3-(3-methoxyphenyl)-2-methyl-5-(3-nitrophenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclobutanecarbonyl)-3-(3-methoxyphenyl)-2-methyl-5-(3-nitrophenyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclobutanecarbonyl)-3-(3-methoxyphenyl)-2-methyl-5-(3-nitrophenyl)proline Formula: C29H27ClN2O7S MolecularWeight: 583.05188

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)C2CCC2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=C(S4)Cl)C5=CC(=CC=C5)OC)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)C2CCC2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=C(S4)Cl)C5=CC(=CC=C5)OC)C(=O)O

InChI

InChI=1S/C29H27ClN2O7S/c1-29(28(35)36)24(17-8-5-11-20(15-17)39-2)23(26(33)21-12-13-22(30)40-21)25(31(29)27(34)16-6-3-7-16)18-9-4-10-19(14-18)32(37)38/h4-5,8-16,23-25H,3,6-7H2,1-2H3,(H,35,36)