[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 2-pyridin-3-ylquinoline-4-carboxylate

Systemtic Name: [2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 2-pyridin-3-ylquinoline-4-carboxylate Openeye Name: [2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 2-(3-pyridyl)quinoline-4-carboxylate CAS Name: 2-(3-pyridinyl)-4-quinolinecarboxylic acid [2-[[4-(3-nitrophenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-pyridin-3-ylquinoline-4-carboxylate Traditional Name: 2-(3-pyridyl)cinchoninic acid [2-keto-2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]ethyl] ester Formula: C26H17N5O5S MolecularWeight: 511.50868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)OCC(=O)NC4=NC(=CS4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)OCC(=O)NC4=NC(=CS4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H17N5O5S/c32-24(30-26-29-23(15-37-26)16-5-3-7-18(11-16)31(34)35)14-36-25(33)20-12-22(17-6-4-10-27-13-17)28-21-9-2-1-8-19(20)21/h1-13,15H,14H2,(H,29,30,32)