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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

InChI

InChI=1S/C28H25BrN2O3S/c1-2-14-34-28(33)25-20-11-4-6-13-24(20)35-27(25)31-26(32)21-16-23(17-8-7-9-18(29)15-17)30-22-12-5-3-10-19(21)22/h3,5,7-10,12,15-16H,2,4,6,11,13-14H2,1H3,(H,31,32)