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

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

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=C(C=C5)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=C(C=C5)C

InChI

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