ethyl 6-ethyl-2-[[8-methyl-2-(4-methylphenyl)quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-ethyl-2-[[8-methyl-2-(4-methylphenyl)quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-ethyl-2-[[8-methyl-2-(p-tolyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-ethyl-2-[[[8-methyl-2-(4-methylphenyl)-4-quinolinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-ethyl-2-[[8-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-ethyl-2-[[8-methyl-2-(p-tolyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C31H32N2O3S MolecularWeight: 512.66238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC(=NC4=C3C=CC=C4C)C5=CC=C(C=C5)C

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC(=NC4=C3C=CC=C4C)C5=CC=C(C=C5)C

InChI

InChI=1S/C31H32N2O3S/c1-5-20-12-15-23-26(16-20)37-30(27(23)31(35)36-6-2)33-29(34)24-17-25(21-13-10-18(3)11-14-21)32-28-19(4)8-7-9-22(24)28/h7-11,13-14,17,20H,5-6,12,15-16H2,1-4H3,(H,33,34)