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

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

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

InChI

InChI=1S/C32H33BrN2O3S/c1-5-19-7-13-23-28(15-19)39-31(29(23)32(37)38-6-2)35-30(36)25-17-27(21-10-8-20(9-11-21)18(3)4)34-26-14-12-22(33)16-24(25)26/h8-12,14,16-19H,5-7,13,15H2,1-4H3,(H,35,36)