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

Systemtic Name: [2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 2-phenylquinoline-4-carboxylate Openeye Name: [2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 2-phenylquinoline-4-carboxylate CAS Name: 2-phenyl-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-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid [2-keto-2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]ethyl] ester Formula: C27H18N4O5S MolecularWeight: 510.52062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=NC(=CS4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=NC(=CS4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H18N4O5S/c32-25(30-27-29-24(16-37-27)18-9-6-10-19(13-18)31(34)35)15-36-26(33)21-14-23(17-7-2-1-3-8-17)28-22-12-5-4-11-20(21)22/h1-14,16H,15H2,(H,29,30,32)