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

Systemtic Name: propyl 2-[[6-bromanyl-2-(2-propan-2-yloxyphenyl)quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 2-[[6-bromo-2-(2-isopropoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[6-bromo-2-(2-propan-2-yloxyphenyl)-4-quinolinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 2-[[6-bromo-2-(2-propan-2-yloxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[6-bromo-2-(2-isopropoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C31H31BrN2O4S MolecularWeight: 607.55784

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=CC=C5OC(C)C

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=CC=C5OC(C)C

InChI

InChI=1S/C31H31BrN2O4S/c1-4-15-37-31(36)28-21-10-6-8-12-27(21)39-30(28)34-29(35)23-17-25(33-24-14-13-19(32)16-22(23)24)20-9-5-7-11-26(20)38-18(2)3/h5,7,9,11,13-14,16-18H,4,6,8,10,12,15H2,1-3H3,(H,34,35)