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

Systemtic Name: ethyl 2-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C30H22N2O5S MolecularWeight: 522.57108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=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/C30H22N2O5S/c1-2-35-30(34)27-22(18-8-4-3-5-9-18)16-38-29(27)32-28(33)21-15-24(31-23-11-7-6-10-20(21)23)19-12-13-25-26(14-19)37-17-36-25/h3-16H,2,17H2,1H3,(H,32,33)