tert-butyl 7-[[6-(C-methylsulfanylcarbonimidoyl)-1H-indazol-3-yl]carbonylamino]heptanoate

Systemtic Name: tert-butyl 7-[[6-(C-methylsulfanylcarbonimidoyl)-1H-indazol-3-yl]carbonylamino]heptanoate Openeye Name: tert-butyl 7-[[6-(methylsulfanylcarbonimidoyl)-1H-indazole-3-carbonyl]amino]heptanoate CAS Name: 7-[[[6-[imino-(methylthio)methyl]-1H-indazol-3-yl]-oxomethyl]amino]heptanoic acid tert-butyl ester IUPAC Name: tert-butyl 7-[[6-(C-methylsulfanylcarbonimidoyl)-1H-indazole-3-carbonyl]amino]heptanoate Traditional Name: 7-[[6-[(methylthio)carbonimidoyl]-1H-indazole-3-carbonyl]amino]enanthic acid tert-butyl ester Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCCCCNC(=O)C1=NNC2=C1C=CC(=C2)C(=N)SC

Isomeric SMILES

CC(C)(C)OC(=O)CCCCCCNC(=O)C1=NNC2=C1C=CC(=C2)C(=N)SC

InChI

InChI=1S/C21H30N4O3S/c1-21(2,3)28-17(26)9-7-5-6-8-12-23-20(27)18-15-11-10-14(19(22)29-4)13-16(15)24-25-18/h10-11,13,22H,5-9,12H2,1-4H3,(H,23,27)(H,24,25)