ethyl 2-[[6-bromanyl-2-(2-ethoxyphenyl)quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[6-bromanyl-2-(2-ethoxyphenyl)quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[6-bromo-2-(2-ethoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[6-bromo-2-(2-ethoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[6-bromo-2-(2-ethoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(6-bromo-2-o-phenetyl-quinoline-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C29H27BrN2O4S MolecularWeight: 579.50468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OCC

InChI

InChI=1S/C29H27BrN2O4S/c1-3-35-24-11-7-5-9-18(24)23-16-21(20-15-17(30)13-14-22(20)31-23)27(33)32-28-26(29(34)36-4-2)19-10-6-8-12-25(19)37-28/h5,7,9,11,13-16H,3-4,6,8,10,12H2,1-2H3,(H,32,33)