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

Systemtic Name: propyl 2-[[6-bromanyl-2-(3-methylphenyl)quinolin-4-yl]carbonylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C31H31BrN2O3S MolecularWeight: 591.55844

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCC(C2)CC)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC(=CC=C5)C

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCC(C2)CC)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC(=CC=C5)C

InChI

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