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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

Isomeric SMILES

CC1CCCCC1NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

InChI

InChI=1S/C23H23ClN2O3S/c1-14-6-2-4-8-17(14)26-22(27)13-29-23(28)16-12-19(20-10-11-21(24)30-20)25-18-9-5-3-7-15(16)18/h3,5,7,9-12,14,17H,2,4,6,8,13H2,1H3,(H,26,27)