methyl 3-[(1-hexyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[(1-hexyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(1-hexyl-2-hydroxy-4-oxo-quinoline-3-carbonyl)amino]thiophene-2-carboxylate CAS Name: 3-[[(1-hexyl-2-hydroxy-4-oxo-3-quinolinyl)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(1-hexyl-2-hydroxy-4-oxoquinoline-3-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 3-[(1-hexyl-2-hydroxy-4-keto-quinoline-3-carbonyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C22H24N2O5S/c1-3-4-5-8-12-24-16-10-7-6-9-14(16)18(25)17(21(24)27)20(26)23-15-11-13-30-19(15)22(28)29-2/h6-7,9-11,13,27H,3-5,8,12H2,1-2H3,(H,23,26)