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

Systemtic Name: ethyl 5-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]-oxomethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C26H19N3O5S MolecularWeight: 485.51116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C#N)C

InChI

InChI=1S/C26H19N3O5S/c1-3-32-26(31)23-14(2)18(12-27)25(35-23)29-24(30)17-11-20(28-19-7-5-4-6-16(17)19)15-8-9-21-22(10-15)34-13-33-21/h4-11H,3,13H2,1-2H3,(H,29,30)