[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 2-(5-methyl-2-furyl)quinoline-4-carboxylate CAS Name: 2-(5-methyl-2-furanyl)-4-quinolinecarboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-methyl-2-furyl)cinchoninic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C21H14ClNO4S MolecularWeight: 411.85816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC=C(S4)Cl

Isomeric SMILES

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C21H14ClNO4S/c1-12-6-7-18(27-12)16-10-14(13-4-2-3-5-15(13)23-16)21(25)26-11-17(24)19-8-9-20(22)28-19/h2-10H,11H2,1H3