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

Systemtic Name: ethyl 2-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H22N2O6S MolecularWeight: 502.53838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H22N2O6S/c1-4-33-27(32)23-14(2)24(15(3)30)36-26(23)29-25(31)18-12-20(28-19-8-6-5-7-17(18)19)16-9-10-21-22(11-16)35-13-34-21/h5-12H,4,13H2,1-3H3,(H,29,31)