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

Systemtic Name: methyl 5-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C25H17N3O5S MolecularWeight: 471.48458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C(=O)OC

InChI

InChI=1S/C25H17N3O5S/c1-13-17(11-26)24(34-22(13)25(30)31-2)28-23(29)16-10-19(27-18-6-4-3-5-15(16)18)14-7-8-20-21(9-14)33-12-32-20/h3-10H,12H2,1-2H3,(H,28,29)