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

Systemtic Name: 4-(3-chlorophenyl)carbonyl-5-(4-cyanophenyl)-1-(2-methoxyethanoyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-5-(4-cyanophenyl)-1-(2-methoxyacetyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)-oxomethyl]-5-(4-cyanophenyl)-1-(2-methoxy-1-oxoethyl)-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-5-(4-cyanophenyl)-1-(2-methoxyacetyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-5-(4-cyanophenyl)-1-(2-methoxyacetyl)-3-(2-thienyl)proline Formula: C26H21ClN2O5S MolecularWeight: 508.97334

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1C(C(C(C1C(=O)O)C2=CC=CS2)C(=O)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)C#N

Isomeric SMILES

COCC(=O)N1C(C(C(C1C(=O)O)C2=CC=CS2)C(=O)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H21ClN2O5S/c1-34-14-20(30)29-23(16-9-7-15(13-28)8-10-16)22(25(31)17-4-2-5-18(27)12-17)21(24(29)26(32)33)19-6-3-11-35-19/h2-12,21-24H,14H2,1H3,(H,32,33)