tert-butyl 7-[[6-(C-methylsulfanylcarbonimidoyl)-1H-indol-2-yl]carbonylamino]heptanoate

Systemtic Name: tert-butyl 7-[[6-(C-methylsulfanylcarbonimidoyl)-1H-indol-2-yl]carbonylamino]heptanoate Openeye Name: tert-butyl 7-[[6-(methylsulfanylcarbonimidoyl)-1H-indole-2-carbonyl]amino]heptanoate CAS Name: 7-[[[6-[imino-(methylthio)methyl]-1H-indol-2-yl]-oxomethyl]amino]heptanoic acid tert-butyl ester IUPAC Name: tert-butyl 7-[[6-(C-methylsulfanylcarbonimidoyl)-1H-indole-2-carbonyl]amino]heptanoate Traditional Name: 7-[[6-[(methylthio)carbonimidoyl]-1H-indole-2-carbonyl]amino]enanthic acid tert-butyl ester Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCCCCNC(=O)C1=CC2=C(N1)C=C(C=C2)C(=N)SC

Isomeric SMILES

CC(C)(C)OC(=O)CCCCCCNC(=O)C1=CC2=C(N1)C=C(C=C2)C(=N)SC

InChI

InChI=1S/C22H31N3O3S/c1-22(2,3)28-19(26)9-7-5-6-8-12-24-21(27)18-13-15-10-11-16(20(23)29-4)14-17(15)25-18/h10-11,13-14,23,25H,5-9,12H2,1-4H3,(H,24,27)