ethyl 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinolin-4-yl]carbonylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinolin-4-yl]carbonylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carbonyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-quinolinyl]-oxomethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carbonyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carbonyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H24N2O5S MolecularWeight: 488.55486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCCO5)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCCO5)C(=O)OCC

InChI

InChI=1S/C27H24N2O5S/c1-3-17-14-20(27(31)32-4-2)26(35-17)29-25(30)19-15-22(28-21-8-6-5-7-18(19)21)16-9-10-23-24(13-16)34-12-11-33-23/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,29,30)