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

Systemtic Name: propyl 2-[[2-(4-butylphenyl)-6-methyl-quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 2-[[2-(4-butylphenyl)-6-methyl-quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-(4-butylphenyl)-6-methyl-4-quinolinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 2-[[2-(4-butylphenyl)-6-methylquinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-butylphenyl)-6-methyl-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:

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OCCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OCCC

InChI

InChI=1S/C33H36N2O3S/c1-4-6-9-22-13-15-23(16-14-22)28-20-26(25-19-21(3)12-17-27(25)34-28)31(36)35-32-30(33(37)38-18-5-2)24-10-7-8-11-29(24)39-32/h12-17,19-20H,4-11,18H2,1-3H3,(H,35,36)