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

Systemtic Name: ethyl 2-[[6-bromanyl-2-(4-methylphenyl)quinolin-4-yl]carbonylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[6-bromo-2-(p-tolyl)quinoline-4-carbonyl]amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[6-bromo-2-(4-methylphenyl)-4-quinolinyl]-oxomethyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[6-bromo-2-(4-methylphenyl)quinoline-4-carbonyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[6-bromo-2-(p-tolyl)quinoline-4-carbonyl]amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C32H33BrN2O3S MolecularWeight: 605.58502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=C(C=C5)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=C(C=C5)C

InChI

InChI=1S/C32H33BrN2O3S/c1-6-38-31(37)28-22-13-11-20(32(3,4)5)15-27(22)39-30(28)35-29(36)24-17-26(19-9-7-18(2)8-10-19)34-25-14-12-21(33)16-23(24)25/h7-10,12,14,16-17,20H,6,11,13,15H2,1-5H3,(H,35,36)