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

Systemtic Name: propyl 6-ethyl-2-[[2-(4-propylphenyl)quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 6-ethyl-2-[[2-(4-propylphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-ethyl-2-[[oxo-[2-(4-propylphenyl)-4-quinolinyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 6-ethyl-2-[[2-(4-propylphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-ethyl-2-[[2-(4-propylphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C33H36N2O3S MolecularWeight: 540.71554

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)CC)C(=O)OCCC

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)CC)C(=O)OCCC

InChI

InChI=1S/C33H36N2O3S/c1-4-9-22-12-15-23(16-13-22)28-20-26(24-10-7-8-11-27(24)34-28)31(36)35-32-30(33(37)38-18-5-2)25-17-14-21(6-3)19-29(25)39-32/h7-8,10-13,15-16,20-21H,4-6,9,14,17-19H2,1-3H3,(H,35,36)