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

Systemtic Name: ethyl 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinolin-4-yl]carbonylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carbonyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-quinolinyl]-oxomethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carbonyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carbonyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H26N2O5S MolecularWeight: 502.58144

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCCO5)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCCO5)C

InChI

InChI=1S/C28H26N2O5S/c1-4-18-16(3)36-27(25(18)28(32)33-5-2)30-26(31)20-15-22(29-21-9-7-6-8-19(20)21)17-10-11-23-24(14-17)35-13-12-34-23/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,30,31)