[2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] quinoline-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] quinoline-2-carboxylate Openeye Name: [2-oxo-2-[2-(2-thienylmethylsulfanyl)ethylamino]ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-oxo-2-[2-(thiophen-2-ylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-keto-2-[2-(2-thenylthio)ethylamino]ethyl] ester Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCC(=O)NCCSCC3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCC(=O)NCCSCC3=CC=CS3

InChI

InChI=1S/C19H18N2O3S2/c22-18(20-9-11-25-13-15-5-3-10-26-15)12-24-19(23)17-8-7-14-4-1-2-6-16(14)21-17/h1-8,10H,9,11-13H2,(H,20,22)