4-(3-chlorophenyl)carbonyl-1-(2-methoxyethanoyl)-2-methyl-5-(3-nitrophenyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(3-chlorophenyl)carbonyl-1-(2-methoxyethanoyl)-2-methyl-5-(3-nitrophenyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-1-(2-methoxyacetyl)-2-methyl-5-(3-nitrophenyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)-oxomethyl]-1-(2-methoxy-1-oxoethyl)-2-methyl-5-(3-nitrophenyl)-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-1-(2-methoxyacetyl)-2-methyl-5-(3-nitrophenyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-1-(2-methoxyacetyl)-2-methyl-5-(3-nitrophenyl)-3-(2-thienyl)proline Formula: C26H23ClN2O7S MolecularWeight: 542.98802

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)COC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC(=CC=C3)Cl)C4=CC=CS4)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)COC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC(=CC=C3)Cl)C4=CC=CS4)C(=O)O

InChI

InChI=1S/C26H23ClN2O7S/c1-26(25(32)33)22(19-10-5-11-37-19)21(24(31)16-7-3-8-17(27)12-16)23(28(26)20(30)14-36-2)15-6-4-9-18(13-15)29(34)35/h3-13,21-23H,14H2,1-2H3,(H,32,33)