[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-[(4-carbomethoxybenzyl)amino]-2-keto-ethyl] ester Formula: C25H20N2O5S MolecularWeight: 460.5017

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C25H20N2O5S/c1-31-24(29)17-10-8-16(9-11-17)14-26-23(28)15-32-25(30)19-13-21(22-7-4-12-33-22)27-20-6-3-2-5-18(19)20/h2-13H,14-15H2,1H3,(H,26,28)