tert-butyl 3-ethyl-7-[[5-(C-methylsulfanylcarbonimidoyl)-1H-indol-2-yl]carbonylamino]heptanoate

Systemtic Name: tert-butyl 3-ethyl-7-[[5-(C-methylsulfanylcarbonimidoyl)-1H-indol-2-yl]carbonylamino]heptanoate Openeye Name: tert-butyl 3-ethyl-7-[[5-(methylsulfanylcarbonimidoyl)-1H-indole-2-carbonyl]amino]heptanoate CAS Name: 3-ethyl-7-[[[5-[imino-(methylthio)methyl]-1H-indol-2-yl]-oxomethyl]amino]heptanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-ethyl-7-[[5-(C-methylsulfanylcarbonimidoyl)-1H-indole-2-carbonyl]amino]heptanoate Traditional Name: 3-ethyl-7-[[5-[(methylthio)carbonimidoyl]-1H-indole-2-carbonyl]amino]enanthic acid tert-butyl ester Formula: C24H35N3O3S MolecularWeight: 445.618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35N3O3S/c1-6-16(13-21(28)30-24(2,3)4)9-7-8-12-26-23(29)20-15-18-14-17(22(25)31-5)10-11-19(18)27-20/h10-11,14-16,25,27H,6-9,12-13H2,1-5H3,(H,26,29)