methyl 3-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C23H16N2O5S MolecularWeight: 432.44854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H16N2O5S/c1-28-23(27)21-17(8-9-31-21)25-22(26)15-11-18(24-16-5-3-2-4-14(15)16)13-6-7-19-20(10-13)30-12-29-19/h2-11H,12H2,1H3,(H,25,26)