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

Systemtic Name: methyl 3-[(1-octyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(2-hydroxy-1-octyl-4-oxo-quinoline-3-carbonyl)amino]thiophene-2-carboxylate CAS Name: 3-[[(2-hydroxy-1-octyl-4-oxo-3-quinolinyl)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-hydroxy-1-octyl-4-oxoquinoline-3-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 3-[(2-hydroxy-4-keto-1-octyl-quinoline-3-carbonyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CCCCCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C24H28N2O5S/c1-3-4-5-6-7-10-14-26-18-12-9-8-11-16(18)20(27)19(23(26)29)22(28)25-17-13-15-32-21(17)24(30)31-2/h8-9,11-13,15,29H,3-7,10,14H2,1-2H3,(H,25,28)