butyl 2-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: butyl 2-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]benzothiophene-3-carboxylic acid butyl ester Formula: C30H24N2O5S MolecularWeight: 524.58696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C30H24N2O5S/c1-2-3-14-35-30(34)27-20-9-5-7-11-26(20)38-29(27)32-28(33)21-16-23(31-22-10-6-4-8-19(21)22)18-12-13-24-25(15-18)37-17-36-24/h4-13,15-16H,2-3,14,17H2,1H3,(H,32,33)