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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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