[4-(thiophen-2-ylcarbonylamino)phenyl] 2-pyridin-3-ylquinoline-4-carboxylate

Systemtic Name: [4-(thiophen-2-ylcarbonylamino)phenyl] 2-pyridin-3-ylquinoline-4-carboxylate Openeye Name: [4-(thiophene-2-carbonylamino)phenyl] 2-(3-pyridyl)quinoline-4-carboxylate CAS Name: 2-(3-pyridinyl)-4-quinolinecarboxylic acid [4-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester IUPAC Name: [4-(thiophene-2-carbonylamino)phenyl] 2-pyridin-3-ylquinoline-4-carboxylate Traditional Name: 2-(3-pyridyl)cinchoninic acid [4-(2-thenoylamino)phenyl] ester Formula: C26H17N3O3S MolecularWeight: 451.49648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)OC4=CC=C(C=C4)NC(=O)C5=CC=CS5

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)OC4=CC=C(C=C4)NC(=O)C5=CC=CS5

InChI

InChI=1S/C26H17N3O3S/c30-25(24-8-4-14-33-24)28-18-9-11-19(12-10-18)32-26(31)21-15-23(17-5-3-13-27-16-17)29-22-7-2-1-6-20(21)22/h1-16H,(H,28,30)