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

Systemtic Name: ethyl 5-aminocarbonyl-2-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]-oxomethyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H21N3O6S MolecularWeight: 503.52644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21N3O6S/c1-3-33-26(32)21-13(2)22(23(27)30)36-25(21)29-24(31)16-11-18(28-17-7-5-4-6-15(16)17)14-8-9-19-20(10-14)35-12-34-19/h4-11H,3,12H2,1-2H3,(H2,27,30)(H,29,31)