[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-keto-2-(3,4,5-trimethoxyanilino)ethyl] ester Formula: C25H22N2O6S MolecularWeight: 478.51698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C25H22N2O6S/c1-30-20-11-15(12-21(31-2)24(20)32-3)26-23(28)14-33-25(29)17-13-19(22-9-6-10-34-22)27-18-8-5-4-7-16(17)18/h4-13H,14H2,1-3H3,(H,26,28)