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

Systemtic Name: 3-(4-cyanophenyl)-5-pyridin-3-yl-1,4-bis(thiophen-2-ylcarbonyl)pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-cyanophenyl)-5-(3-pyridyl)-1,4-bis(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-cyanophenyl)-1,4-bis[oxo(thiophen-2-yl)methyl]-5-(3-pyridinyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-cyanophenyl)-5-pyridin-3-yl-1,4-bis(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-cyanophenyl)-5-(3-pyridyl)-1,4-bis(2-thenoyl)proline Formula: C27H19N3O4S2 MolecularWeight: 513.58746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2C(C(C(N2C(=O)C3=CC=CS3)C(=O)O)C4=CC=C(C=C4)C#N)C(=O)C5=CC=CS5

Isomeric SMILES

C1=CC(=CN=C1)C2C(C(C(N2C(=O)C3=CC=CS3)C(=O)O)C4=CC=C(C=C4)C#N)C(=O)C5=CC=CS5

InChI

InChI=1S/C27H19N3O4S2/c28-14-16-7-9-17(10-8-16)21-22(25(31)19-5-2-12-35-19)23(18-4-1-11-29-15-18)30(24(21)27(33)34)26(32)20-6-3-13-36-20/h1-13,15,21-24H,(H,33,34)