[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-1-quinolin-6-yl-ethyl] thiophene-2-carboxylate

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-1-quinolin-6-yl-ethyl] thiophene-2-carboxylate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-1-(6-quinolyl)ethyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [2-(2-methylbutan-2-ylamino)-2-oxo-1-(6-quinolinyl)ethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxo-1-quinolin-6-ylethyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [2-(tert-amylamino)-2-keto-1-(6-quinolyl)ethyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C(C1=CC2=C(C=C1)N=CC=C2)OC(=O)C3=CC=CS3

Isomeric SMILES

CCC(C)(C)NC(=O)C(C1=CC2=C(C=C1)N=CC=C2)OC(=O)C3=CC=CS3

InChI

InChI=1S/C21H22N2O3S/c1-4-21(2,3)23-19(24)18(26-20(25)17-8-6-12-27-17)15-9-10-16-14(13-15)7-5-11-22-16/h5-13,18H,4H2,1-3H3,(H,23,24)