[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate

Systemtic Name: [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: [2-(2-methylindolin-1-yl)-2-oxo-ethyl] 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid [2-keto-2-(2-methylindolin-1-yl)ethyl] ester Formula: C25H19ClN2O3S MolecularWeight: 462.94796

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)Cl

Isomeric SMILES

CC1CC2=CC=CC=C2N1C(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)Cl

InChI

InChI=1S/C25H19ClN2O3S/c1-15-12-16-6-2-5-9-21(16)28(15)24(29)14-31-25(30)18-13-20(22-10-11-23(26)32-22)27-19-8-4-3-7-17(18)19/h2-11,13,15H,12,14H2,1H3