[2-[cyclohexyl(methyl)amino]-2-oxidanylidene-ethyl] 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate

Systemtic Name: [2-[cyclohexyl(methyl)amino]-2-oxidanylidene-ethyl] 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: [2-[cyclohexyl(methyl)amino]-2-oxo-ethyl] 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid [2-[cyclohexyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid [2-[cyclohexyl(methyl)amino]-2-keto-ethyl] ester Formula: C23H23ClN2O3S MolecularWeight: 442.95832

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

Isomeric SMILES

CN(C1CCCCC1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

InChI

InChI=1S/C23H23ClN2O3S/c1-26(15-7-3-2-4-8-15)22(27)14-29-23(28)17-13-19(20-11-12-21(24)30-20)25-18-10-6-5-9-16(17)18/h5-6,9-13,15H,2-4,7-8,14H2,1H3