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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

Isomeric SMILES

C1CCCC(CC1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

InChI

InChI=1S/C23H23ClN2O3S/c24-21-12-11-20(30-21)19-13-17(16-9-5-6-10-18(16)26-19)23(28)29-14-22(27)25-15-7-3-1-2-4-8-15/h5-6,9-13,15H,1-4,7-8,14H2,(H,25,27)