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

Systemtic Name: ethyl 6-ethyl-2-[[6-methyl-2-(4-propan-2-ylphenyl)quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-ethyl-2-[[2-(4-isopropylphenyl)-6-methyl-quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-ethyl-2-[[[6-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 6-ethyl-2-[[6-methyl-2-(4-propan-2-ylphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-ethyl-2-[(6-methyl-2-p-cumenyl-quinoline-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C33H36N2O3S MolecularWeight: 540.71554

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC(=NC4=C3C=C(C=C4)C)C5=CC=C(C=C5)C(C)C

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC(=NC4=C3C=C(C=C4)C)C5=CC=C(C=C5)C(C)C

InChI

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