disodium [2-(methoxycarbonylamino)-6-phenylsulfanyl-benzimidazol-1-yl]methyl phosphate

Systemtic Name: disodium [2-(methoxycarbonylamino)-6-phenylsulfanyl-benzimidazol-1-yl]methyl phosphate Openeye Name: disodium [2-(methoxycarbonylamino)-6-phenylsulfanyl-benzimidazol-1-yl]methyl phosphate CAS Name: disodium [2-(methoxycarbonylamino)-6-(phenylthio)-1-benzimidazolyl]methyl phosphate IUPAC Name: disodium [2-(methoxycarbonylamino)-6-phenylsulfanylbenzimidazol-1-yl]methyl phosphate Traditional Name: disodium [2-(carbomethoxyamino)-6-(phenylthio)benzimidazol-1-yl]methyl phosphate Formula: C16H14N3Na2O6PS MolecularWeight: 453.317161

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=C(N1COP(=O)([O-])[O-])C=C(C=C2)SC3=CC=CC=C3.[Na+].[Na+]

Isomeric SMILES

COC(=O)NC1=NC2=C(N1COP(=O)([O-])[O-])C=C(C=C2)SC3=CC=CC=C3.[Na+].[Na+]

InChI

InChI=1S/C16H16N3O6PS.2Na/c1-24-16(20)18-15-17-13-8-7-12(27-11-5-3-2-4-6-11)9-14(13)19(15)10-25-26(21,22)23;;/h2-9H,10H2,1H3,(H,17,18,20)(H2,21,22,23);;/q;2*+1/p-2