tert-butyl 7-[2-[4-(C-methylsulfanylcarbonimidoyl)phenoxy]ethanoylamino]heptanoate

Systemtic Name: tert-butyl 7-[2-[4-(C-methylsulfanylcarbonimidoyl)phenoxy]ethanoylamino]heptanoate Openeye Name: tert-butyl 7-[[2-[4-(methylsulfanylcarbonimidoyl)phenoxy]acetyl]amino]heptanoate CAS Name: 7-[[2-[4-[imino-(methylthio)methyl]phenoxy]-1-oxoethyl]amino]heptanoic acid tert-butyl ester IUPAC Name: tert-butyl 7-[[2-[4-(C-methylsulfanylcarbonimidoyl)phenoxy]acetyl]amino]heptanoate Traditional Name: 7-[[2-[4-[(methylthio)carbonimidoyl]phenoxy]acetyl]amino]enanthic acid tert-butyl ester Formula: C21H32N2O4S MolecularWeight: 408.55478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCCCCNC(=O)COC1=CC=C(C=C1)C(=N)SC

Isomeric SMILES

CC(C)(C)OC(=O)CCCCCCNC(=O)COC1=CC=C(C=C1)C(=N)SC

InChI

InChI=1S/C21H32N2O4S/c1-21(2,3)27-19(25)9-7-5-6-8-14-23-18(24)15-26-17-12-10-16(11-13-17)20(22)28-4/h10-13,22H,5-9,14-15H2,1-4H3,(H,23,24)