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

Systemtic Name: ethyl 2-[[2-(4-tert-butylphenyl)quinolin-4-yl]carbonylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-tert-butylphenyl)quinoline-4-carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-(4-tert-butylphenyl)-4-quinolinyl]-oxomethyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-tert-butylphenyl)quinoline-4-carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-tert-butylphenyl)quinoline-4-carbonyl]amino]-6-ethyl-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=CC=CC=C43)C5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)C(C)(C)C

InChI

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