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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NC4=C3C=CC=C4C)C5=CC=C(C=C5)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NC4=C3C=CC=C4C)C5=CC=C(C=C5)C(C)C

InChI

InChI=1S/C31H32N2O3S/c1-5-36-31(35)27-23-10-6-7-12-26(23)37-30(27)33-29(34)24-17-25(21-15-13-20(14-16-21)18(2)3)32-28-19(4)9-8-11-22(24)28/h8-9,11,13-18H,5-7,10,12H2,1-4H3,(H,33,34)