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

Systemtic Name: methyl 2-[[6-bromanyl-2-(4-methylphenyl)quinolin-4-yl]carbonylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[6-bromo-2-(p-tolyl)quinoline-4-carbonyl]amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[6-bromo-2-(4-methylphenyl)-4-quinolinyl]-oxomethyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[6-bromo-2-(4-methylphenyl)quinoline-4-carbonyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[6-bromo-2-(p-tolyl)quinoline-4-carbonyl]amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C31H31BrN2O3S MolecularWeight: 591.55844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C(C)(C)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C31H31BrN2O3S/c1-17-6-8-18(9-7-17)25-16-23(22-15-20(32)11-13-24(22)33-25)28(35)34-29-27(30(36)37-5)21-12-10-19(31(2,3)4)14-26(21)38-29/h6-9,11,13,15-16,19H,10,12,14H2,1-5H3,(H,34,35)