tert-butyl 7-[2-[[3-(C-methylsulfanylcarbonimidoyl)phenyl]amino]ethanoylamino]heptanoate

Systemtic Name: tert-butyl 7-[2-[[3-(C-methylsulfanylcarbonimidoyl)phenyl]amino]ethanoylamino]heptanoate Openeye Name: tert-butyl 7-[[2-[3-(methylsulfanylcarbonimidoyl)anilino]acetyl]amino]heptanoate CAS Name: 7-[[2-[3-[imino-(methylthio)methyl]anilino]-1-oxoethyl]amino]heptanoic acid tert-butyl ester IUPAC Name: tert-butyl 7-[[2-[3-(C-methylsulfanylcarbonimidoyl)anilino]acetyl]amino]heptanoate Traditional Name: 7-[[2-[3-[(methylthio)carbonimidoyl]anilino]acetyl]amino]enanthic acid tert-butyl ester Formula: C21H33N3O3S MolecularWeight: 407.57002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCCCCNC(=O)CNC1=CC=CC(=C1)C(=N)SC

Isomeric SMILES

CC(C)(C)OC(=O)CCCCCCNC(=O)CNC1=CC=CC(=C1)C(=N)SC

InChI

InChI=1S/C21H33N3O3S/c1-21(2,3)27-19(26)12-7-5-6-8-13-23-18(25)15-24-17-11-9-10-16(14-17)20(22)28-4/h9-11,14,22,24H,5-8,12-13,15H2,1-4H3,(H,23,25)