[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-(3,5-dimethylpiperidino)-2-keto-ethyl] ester Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)C

InChI

InChI=1S/C23H24N2O3S/c1-15-10-16(2)13-25(12-15)22(26)14-28-23(27)18-11-20(21-8-5-9-29-21)24-19-7-4-3-6-17(18)19/h3-9,11,15-16H,10,12-14H2,1-2H3