3,5-bis(4-cyanophenyl)-1-(2-methoxyethanoyl)-2-methyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3,5-bis(4-cyanophenyl)-1-(2-methoxyethanoyl)-2-methyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3,5-bis(4-cyanophenyl)-1-(2-methoxyacetyl)-2-methyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3,5-bis(4-cyanophenyl)-1-(2-methoxy-1-oxoethyl)-2-methyl-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3,5-bis(4-cyanophenyl)-1-(2-methoxyacetyl)-2-methyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3,5-bis(4-cyanophenyl)-1-(2-methoxyacetyl)-2-methyl-4-(2-thenoyl)proline Formula: C28H23N3O5S MolecularWeight: 513.56432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)COC)C2=CC=C(C=C2)C#N)C(=O)C3=CC=CS3)C4=CC=C(C=C4)C#N)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)COC)C2=CC=C(C=C2)C#N)C(=O)C3=CC=CS3)C4=CC=C(C=C4)C#N)C(=O)O

InChI

InChI=1S/C28H23N3O5S/c1-28(27(34)35)24(19-9-5-17(14-29)6-10-19)23(26(33)21-4-3-13-37-21)25(31(28)22(32)16-36-2)20-11-7-18(15-30)8-12-20/h3-13,23-25H,16H2,1-2H3,(H,34,35)