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

Systemtic Name: methyl 2-[[2-(3-bromophenyl)quinolin-4-yl]carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-(3-bromophenyl)-4-quinolinyl]-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C27H23BrN2O3S MolecularWeight: 535.45212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

InChI

InChI=1S/C27H23BrN2O3S/c1-15-10-11-19-23(12-15)34-26(24(19)27(32)33-2)30-25(31)20-14-22(16-6-5-7-17(28)13-16)29-21-9-4-3-8-18(20)21/h3-9,13-15H,10-12H2,1-2H3,(H,30,31)