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

Systemtic Name: ethyl 2-[[6-bromanyl-2-(3-bromophenyl)quinolin-4-yl]carbonylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[6-bromo-2-(3-bromophenyl)quinoline-4-carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[6-bromo-2-(3-bromophenyl)-4-quinolinyl]-oxomethyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[6-bromo-2-(3-bromophenyl)quinoline-4-carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[6-bromo-2-(3-bromophenyl)quinoline-4-carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C29H26Br2N2O3S MolecularWeight: 642.40134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC(=CC=C5)Br

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC(=CC=C5)Br

InChI

InChI=1S/C29H26Br2N2O3S/c1-3-16-8-10-20-25(12-16)37-28(26(20)29(35)36-4-2)33-27(34)22-15-24(17-6-5-7-18(30)13-17)32-23-11-9-19(31)14-21(22)23/h5-7,9,11,13-16H,3-4,8,10,12H2,1-2H3,(H,33,34)