[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 2-cyclopropylquinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 2-cyclopropylquinoline-4-carboxylate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 2-cyclopropylquinoline-4-carboxylate CAS Name: 2-cyclopropyl-4-quinolinecarboxylic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-cyclopropylquinoline-4-carboxylate Traditional Name: 2-cyclopropylcinchoninic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NCCC4=CC=CS4

Isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NCCC4=CC=CS4

InChI

InChI=1S/C21H20N2O3S/c24-20(22-10-9-15-4-3-11-27-15)13-26-21(25)17-12-19(14-7-8-14)23-18-6-2-1-5-16(17)18/h1-6,11-12,14H,7-10,13H2,(H,22,24)