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

Systemtic Name: ethyl 2-[[2-(4-bromophenyl)-6-methyl-quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-bromophenyl)-6-methyl-quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-(4-bromophenyl)-6-methyl-4-quinolinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-bromophenyl)-6-methylquinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromophenyl)-6-methyl-quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C28H25BrN2O3S MolecularWeight: 549.4787

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)C)C5=CC=C(C=C5)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)C)C5=CC=C(C=C5)Br

InChI

InChI=1S/C28H25BrN2O3S/c1-3-34-28(33)25-19-6-4-5-7-24(19)35-27(25)31-26(32)21-15-23(17-9-11-18(29)12-10-17)30-22-13-8-16(2)14-20(21)22/h8-15H,3-7H2,1-2H3,(H,31,32)