methyl N-[1-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl]-6-propylsulfanyl-benzimidazol-2-yl]carbamate

Systemtic Name: methyl N-[1-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl]-6-propylsulfanyl-benzimidazol-2-yl]carbamate Openeye Name: methyl N-[1-(ditert-butoxyphosphoryloxymethyl)-6-propylsulfanyl-benzimidazol-2-yl]carbamate CAS Name: N-[1-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl]-6-(propylthio)-2-benzimidazolyl]carbamic acid methyl ester IUPAC Name: methyl N-[1-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl]-6-propylsulfanylbenzimidazol-2-yl]carbamate Traditional Name: N-[1-(ditert-butoxyphosphoryloxymethyl)-6-(propylthio)benzimidazol-2-yl]carbamic acid methyl ester Formula: C21H34N3O6PS MolecularWeight: 487.549921

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC2=C(C=C1)N=C(N2COP(=O)(OC(C)(C)C)OC(C)(C)C)NC(=O)OC

Isomeric SMILES

CCCSC1=CC2=C(C=C1)N=C(N2COP(=O)(OC(C)(C)C)OC(C)(C)C)NC(=O)OC

InChI

InChI=1S/C21H34N3O6PS/c1-9-12-32-15-10-11-16-17(13-15)24(18(22-16)23-19(25)27-8)14-28-31(26,29-20(2,3)4)30-21(5,6)7/h10-11,13H,9,12,14H2,1-8H3,(H,22,23,25)