[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)NCC3=CC=CS3

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C22H24N2O3S/c1-3-8-18-16(4-2)21(17-10-5-6-11-19(17)24-18)22(26)27-14-20(25)23-13-15-9-7-12-28-15/h5-7,9-12H,3-4,8,13-14H2,1-2H3,(H,23,25)