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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C31H31BrN2O3S/c1-5-19-9-11-22-27(14-19)38-30(28(22)31(36)37-17(2)3)34-29(35)24-16-26(20-8-6-7-18(4)13-20)33-25-12-10-21(32)15-23(24)25/h6-8,10,12-13,15-17,19H,5,9,11,14H2,1-4H3,(H,34,35)