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

Systemtic Name: ethyl 2-[[2-(3-bromophenyl)quinolin-4-yl]carbonylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[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-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C29H27BrN2O3S MolecularWeight: 563.50528

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

InChI

InChI=1S/C29H27BrN2O3S/c1-3-17-12-13-21-25(14-17)36-28(26(21)29(34)35-4-2)32-27(33)22-16-24(18-8-7-9-19(30)15-18)31-23-11-6-5-10-20(22)23/h5-11,15-17H,3-4,12-14H2,1-2H3,(H,32,33)