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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC(C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC(C)C

InChI

InChI=1S/C31H31BrN2O3S/c1-17(2)19-9-11-20(12-10-19)26-16-24(23-15-21(32)13-14-25(23)33-26)29(35)34-30-28(31(36)37-18(3)4)22-7-5-6-8-27(22)38-30/h9-18H,5-8H2,1-4H3,(H,34,35)