[2-[(5-bromanyl-3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[(5-bromanyl-3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[(5-bromo-3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[(5-bromo-3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-bromo-3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[(5-bromo-3-carbethoxy-4-phenyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C25H19BrN2O5S MolecularWeight: 539.39776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Br)NC(=O)COC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Br)NC(=O)COC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H19BrN2O5S/c1-2-32-25(31)21-20(16-9-4-3-5-10-16)22(26)34-23(21)28-19(29)14-33-24(30)18-13-12-15-8-6-7-11-17(15)27-18/h3-13H,2,14H2,1H3,(H,28,29)