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

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

CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)C(C)(C)C

InChI

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