[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NCCC3=CC=CS3

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NCCC3=CC=CS3

InChI

InChI=1S/C21H22N2O3S/c1-3-17-14(2)20(16-8-4-5-9-18(16)23-17)21(25)26-13-19(24)22-11-10-15-7-6-12-27-15/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,24)