[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-(2-benzylanilino)-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-oxo-2-[2-(phenylmethyl)anilino]ethyl] ester IUPAC Name: [2-(2-benzylanilino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-(2-benzylanilino)-2-keto-ethyl] ester Formula: C29H22N2O3S MolecularWeight: 478.56158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C29H22N2O3S/c32-28(31-24-13-6-4-11-21(24)17-20-9-2-1-3-10-20)19-34-29(33)23-18-26(27-15-8-16-35-27)30-25-14-7-5-12-22(23)25/h1-16,18H,17,19H2,(H,31,32)