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

Systemtic Name: 3,5-bis(4-cyanophenyl)-1-(2-methoxyethanoyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3,5-bis(4-cyanophenyl)-1-(2-methoxyacetyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3,5-bis(4-cyanophenyl)-1-(2-methoxy-1-oxoethyl)-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3,5-bis(4-cyanophenyl)-1-(2-methoxyacetyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3,5-bis(4-cyanophenyl)-1-(2-methoxyacetyl)-4-(2-thenoyl)proline Formula: C27H21N3O5S MolecularWeight: 499.53774

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1C(C(C(C1C(=O)O)C2=CC=C(C=C2)C#N)C(=O)C3=CC=CS3)C4=CC=C(C=C4)C#N

Isomeric SMILES

COCC(=O)N1C(C(C(C1C(=O)O)C2=CC=C(C=C2)C#N)C(=O)C3=CC=CS3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H21N3O5S/c1-35-15-21(31)30-24(19-10-6-17(14-29)7-11-19)23(26(32)20-3-2-12-36-20)22(25(30)27(33)34)18-8-4-16(13-28)5-9-18/h2-12,22-25H,15H2,1H3,(H,33,34)