[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-(furan-2-yl)quinoline-4-carboxylate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-(furan-2-yl)quinoline-4-carboxylate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 2-(2-furyl)quinoline-4-carboxylate CAS Name: 2-(2-furanyl)-4-quinolinecarboxylic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate Traditional Name: 2-(2-furyl)cinchoninic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C20H12BrNO4S MolecularWeight: 442.28258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CO3)C(=O)OCC(=O)C4=CC=C(S4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CO3)C(=O)OCC(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C20H12BrNO4S/c21-19-8-7-18(27-19)16(23)11-26-20(24)13-10-15(17-6-3-9-25-17)22-14-5-2-1-4-12(13)14/h1-10H,11H2