methyl N-[1-(phosphonooxymethyl)-5-propylsulfanyl-benzimidazol-2-yl]carbamate

Systemtic Name: methyl N-[1-(phosphonooxymethyl)-5-propylsulfanyl-benzimidazol-2-yl]carbamate Openeye Name: methyl N-[1-(phosphonooxymethyl)-5-propylsulfanyl-benzimidazol-2-yl]carbamate CAS Name: N-[1-(phosphonooxymethyl)-5-(propylthio)-2-benzimidazolyl]carbamic acid methyl ester IUPAC Name: methyl N-[1-(phosphonooxymethyl)-5-propylsulfanylbenzimidazol-2-yl]carbamate Traditional Name: N-[1-(phosphonooxymethyl)-5-(propylthio)benzimidazol-2-yl]carbamic acid methyl ester Formula: C13H18N3O6PS MolecularWeight: 375.337281

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC2=C(C=C1)N(C(=N2)NC(=O)OC)COP(=O)(O)O

Isomeric SMILES

CCCSC1=CC2=C(C=C1)N(C(=N2)NC(=O)OC)COP(=O)(O)O

InChI

InChI=1S/C13H18N3O6PS/c1-3-6-24-9-4-5-11-10(7-9)14-12(15-13(17)21-2)16(11)8-22-23(18,19)20/h4-5,7H,3,6,8H2,1-2H3,(H,14,15,17)(H2,18,19,20)