3-(4-cyanophenyl)-1-(2-methoxyethanoyl)-5-pyridin-3-yl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3-(4-cyanophenyl)-1-(2-methoxyethanoyl)-5-pyridin-3-yl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-cyanophenyl)-1-(2-methoxyacetyl)-5-(3-pyridyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-cyanophenyl)-1-(2-methoxy-1-oxoethyl)-4-[oxo(thiophen-2-yl)methyl]-5-(3-pyridinyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-cyanophenyl)-1-(2-methoxyacetyl)-5-pyridin-3-yl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-cyanophenyl)-1-(2-methoxyacetyl)-5-(3-pyridyl)-4-(2-thenoyl)proline Formula: C25H21N3O5S MolecularWeight: 475.51634

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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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O5S/c1-33-14-19(29)28-22(17-4-2-10-27-13-17)21(24(30)18-5-3-11-34-18)20(23(28)25(31)32)16-8-6-15(12-26)7-9-16/h2-11,13,20-23H,14H2,1H3,(H,31,32)