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

Systemtic Name: tert-butyl 3-methyl-7-[[5-(C-methylsulfanylcarbonimidoyl)-1H-indol-2-yl]carbonylamino]heptanoate Openeye Name: tert-butyl 3-methyl-7-[[5-(methylsulfanylcarbonimidoyl)-1H-indole-2-carbonyl]amino]heptanoate CAS Name: 7-[[[5-[imino-(methylthio)methyl]-1H-indol-2-yl]-oxomethyl]amino]-3-methylheptanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-methyl-7-[[5-(C-methylsulfanylcarbonimidoyl)-1H-indole-2-carbonyl]amino]heptanoate Traditional Name: 3-methyl-7-[[5-[(methylthio)carbonimidoyl]-1H-indole-2-carbonyl]amino]enanthic acid tert-butyl ester Formula: C23H33N3O3S MolecularWeight: 431.59142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O3S/c1-15(12-20(27)29-23(2,3)4)8-6-7-11-25-22(28)19-14-17-13-16(21(24)30-5)9-10-18(17)26-19/h9-10,13-15,24,26H,6-8,11-12H2,1-5H3,(H,25,28)