ethyl 2-[[2-(5-methylfuran-2-yl)quinolin-4-yl]carbonylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-(5-methylfuran-2-yl)quinolin-4-yl]carbonylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(5-methyl-2-furyl)quinoline-4-carbonyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate CAS Name: 2-[[[2-(5-methyl-2-furanyl)-4-quinolinyl]-oxomethyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-(5-methyl-2-furyl)quinoline-4-carbonyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid ethyl ester Formula: C28H28N2O4S MolecularWeight: 488.59792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(O5)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(O5)C

InChI

InChI=1S/C28H28N2O4S/c1-3-33-28(32)25-19-11-6-4-5-7-13-24(19)35-27(25)30-26(31)20-16-22(23-15-14-17(2)34-23)29-21-12-9-8-10-18(20)21/h8-10,12,14-16H,3-7,11,13H2,1-2H3,(H,30,31)