propyl 2-[[2-(3-bromophenyl)-8-methyl-quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propyl 2-[[2-(3-bromophenyl)-8-methyl-quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 2-[[2-(3-bromophenyl)-8-methyl-quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-(3-bromophenyl)-8-methyl-4-quinolinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 2-[[2-(3-bromophenyl)-8-methylquinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(3-bromophenyl)-8-methyl-quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C29H27BrN2O3S MolecularWeight: 563.50528

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NC4=C3C=CC=C4C)C5=CC(=CC=C5)Br

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NC4=C3C=CC=C4C)C5=CC(=CC=C5)Br

InChI

InChI=1S/C29H27BrN2O3S/c1-3-14-35-29(34)25-21-11-4-5-13-24(21)36-28(25)32-27(33)22-16-23(18-9-7-10-19(30)15-18)31-26-17(2)8-6-12-20(22)26/h6-10,12,15-16H,3-5,11,13-14H2,1-2H3,(H,32,33)