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

Systemtic Name: methyl 6-(2-methylbutan-2-yl)-2-[[3-methyl-2-(4-methylphenyl)quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-(1,1-dimethylpropyl)-2-[[3-methyl-2-(p-tolyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-(2-methylbutan-2-yl)-2-[[[3-methyl-2-(4-methylphenyl)-4-quinolinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-(2-methylbutan-2-yl)-2-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-amyl-2-[[3-methyl-2-(p-tolyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C33H36N2O3S MolecularWeight: 540.71554

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC=C(C=C5)C)C

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC=C(C=C5)C)C

InChI

InChI=1S/C33H36N2O3S/c1-7-33(4,5)22-16-17-24-26(18-22)39-31(28(24)32(37)38-6)35-30(36)27-20(3)29(21-14-12-19(2)13-15-21)34-25-11-9-8-10-23(25)27/h8-15,22H,7,16-18H2,1-6H3,(H,35,36)