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

Systemtic Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C29H20N2O5S MolecularWeight: 508.5445

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H20N2O5S/c1-34-29(33)26-21(17-7-3-2-4-8-17)15-37-28(26)31-27(32)20-14-23(30-22-10-6-5-9-19(20)22)18-11-12-24-25(13-18)36-16-35-24/h2-15H,16H2,1H3,(H,31,32)