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

Systemtic Name: 4-(5-chloranylthiophen-2-yl)carbonyl-1-cyclopropylcarbonyl-3-(3-methoxyphenyl)-2-methyl-5-(3-nitrophenyl)pyrrolidine-2-carboxylic acid Openeye Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclopropanecarbonyl)-3-(3-methoxyphenyl)-2-methyl-5-(3-nitrophenyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(5-chloro-2-thiophenyl)-oxomethyl]-1-[cyclopropyl(oxo)methyl]-3-(3-methoxyphenyl)-2-methyl-5-(3-nitrophenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclopropanecarbonyl)-3-(3-methoxyphenyl)-2-methyl-5-(3-nitrophenyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclopropanecarbonyl)-3-(3-methoxyphenyl)-2-methyl-5-(3-nitrophenyl)proline Formula: C28H25ClN2O7S MolecularWeight: 569.0253

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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=C(S4)Cl)C5=CC(=CC=C5)OC)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)C2CC2)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/C28H25ClN2O7S/c1-28(27(34)35)23(16-5-4-8-19(14-16)38-2)22(25(32)20-11-12-21(29)39-20)24(30(28)26(33)15-9-10-15)17-6-3-7-18(13-17)31(36)37/h3-8,11-15,22-24H,9-10H2,1-2H3,(H,34,35)