tert-butyl 7-[[5-(C-methylsulfanylcarbonimidoyl)-2,3-dihydro-1-benzofuran-2-yl]carbonylamino]heptanoate

Systemtic Name: tert-butyl 7-[[5-(C-methylsulfanylcarbonimidoyl)-2,3-dihydro-1-benzofuran-2-yl]carbonylamino]heptanoate Openeye Name: tert-butyl 7-[[5-(methylsulfanylcarbonimidoyl)-2,3-dihydrobenzofuran-2-carbonyl]amino]heptanoate CAS Name: 7-[[[5-[imino-(methylthio)methyl]-2,3-dihydrobenzofuran-2-yl]-oxomethyl]amino]heptanoic acid tert-butyl ester IUPAC Name: tert-butyl 7-[[5-(C-methylsulfanylcarbonimidoyl)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]heptanoate Traditional Name: 7-[[5-[(methylthio)carbonimidoyl]coumaran-2-carbonyl]amino]enanthic acid tert-butyl ester Formula: C22H32N2O4S MolecularWeight: 420.56548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCCCCNC(=O)C1CC2=C(O1)C=CC(=C2)C(=N)SC

Isomeric SMILES

CC(C)(C)OC(=O)CCCCCCNC(=O)C1CC2=C(O1)C=CC(=C2)C(=N)SC

InChI

InChI=1S/C22H32N2O4S/c1-22(2,3)28-19(25)9-7-5-6-8-12-24-21(26)18-14-16-13-15(20(23)29-4)10-11-17(16)27-18/h10-11,13,18,23H,5-9,12,14H2,1-4H3,(H,24,26)