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

Systemtic Name: 4-(3-chlorophenyl)carbonyl-5-(4-cyanophenyl)-1-(2-methoxyethanoyl)-2-methyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-5-(4-cyanophenyl)-1-(2-methoxyacetyl)-2-methyl-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)-oxomethyl]-5-(4-cyanophenyl)-1-(2-methoxy-1-oxoethyl)-2-methyl-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-5-(4-cyanophenyl)-1-(2-methoxyacetyl)-2-methyl-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-5-(4-cyanophenyl)-1-(2-methoxyacetyl)-2-methyl-3-(2-thienyl)proline Formula: C27H23ClN2O5S MolecularWeight: 522.99992

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)COC)C2=CC=C(C=C2)C#N)C(=O)C3=CC(=CC=C3)Cl)C4=CC=CS4)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)COC)C2=CC=C(C=C2)C#N)C(=O)C3=CC(=CC=C3)Cl)C4=CC=CS4)C(=O)O

InChI

InChI=1S/C27H23ClN2O5S/c1-27(26(33)34)23(20-7-4-12-36-20)22(25(32)18-5-3-6-19(28)13-18)24(30(27)21(31)15-35-2)17-10-8-16(14-29)9-11-17/h3-13,22-24H,15H2,1-2H3,(H,33,34)