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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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