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

Systemtic Name: methyl 2-[[6-bromanyl-2-(4-butylphenyl)quinolin-4-yl]carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[6-bromo-2-(4-butylphenyl)quinoline-4-carbonyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[6-bromo-2-(4-butylphenyl)-4-quinolinyl]-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[6-bromo-2-(4-butylphenyl)quinoline-4-carbonyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[6-bromo-2-(4-butylphenyl)quinoline-4-carbonyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C31H31BrN2O3S MolecularWeight: 591.55844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C)C(=O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C)C(=O)OC

InChI

InChI=1S/C31H31BrN2O3S/c1-4-5-6-19-8-10-20(11-9-19)26-17-24(23-16-21(32)12-14-25(23)33-26)29(35)34-30-28(31(36)37-3)22-13-7-18(2)15-27(22)38-30/h8-12,14,16-18H,4-7,13,15H2,1-3H3,(H,34,35)