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

Systemtic Name: 4-(5-chloranylthiophen-2-yl)carbonyl-3-(3-methoxyphenyl)-2-methyl-5-(3-nitrophenyl)-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(5-chlorothiophene-2-carbonyl)-3-(3-methoxyphenyl)-2-methyl-5-(3-nitrophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(5-chloro-2-thiophenyl)-oxomethyl]-3-(3-methoxyphenyl)-2-methyl-5-(3-nitrophenyl)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(5-chlorothiophene-2-carbonyl)-3-(3-methoxyphenyl)-2-methyl-5-(3-nitrophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-(5-chlorothiophene-2-carbonyl)-3-(3-methoxyphenyl)-2-methyl-5-(3-nitrophenyl)-1-(2-thenoyl)proline Formula: C29H23ClN2O7S2 MolecularWeight: 611.08512

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)C2=CC=CS2)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)C2=CC=CS2)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/C29H23ClN2O7S2/c1-29(28(35)36)24(16-6-4-9-19(15-16)39-2)23(26(33)20-11-12-22(30)41-20)25(17-7-3-8-18(14-17)32(37)38)31(29)27(34)21-10-5-13-40-21/h3-15,23-25H,1-2H3,(H,35,36)