propan-2-yl 2-[[6-bromanyl-2-(2-propan-2-yloxyphenyl)quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[[6-bromanyl-2-(2-propan-2-yloxyphenyl)quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[[6-bromo-2-(2-isopropoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[6-bromo-2-(2-propan-2-yloxyphenyl)-4-quinolinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[6-bromo-2-(2-propan-2-yloxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[6-bromo-2-(2-isopropoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C31H31BrN2O4S MolecularWeight: 607.55784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC(C)C

Isomeric SMILES

CC(C)OC1=CC=CC=C1C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC(C)C

InChI

InChI=1S/C31H31BrN2O4S/c1-17(2)37-26-11-7-5-9-20(26)25-16-23(22-15-19(32)13-14-24(22)33-25)29(35)34-30-28(31(36)38-18(3)4)21-10-6-8-12-27(21)39-30/h5,7,9,11,13-18H,6,8,10,12H2,1-4H3,(H,34,35)