sodium [2-(methoxycarbonylamino)-5-propylsulfanyl-benzimidazol-1-yl]methyl phosphate

Systemtic Name: sodium [2-(methoxycarbonylamino)-5-propylsulfanyl-benzimidazol-1-yl]methyl phosphate Openeye Name: sodium [2-(methoxycarbonylamino)-5-propylsulfanyl-benzimidazol-1-yl]methyl phosphate CAS Name: sodium [2-(methoxycarbonylamino)-5-(propylthio)-1-benzimidazolyl]methyl phosphate IUPAC Name: sodium [2-(methoxycarbonylamino)-5-propylsulfanylbenzimidazol-1-yl]methyl phosphate Traditional Name: sodium [2-(carbomethoxyamino)-5-(propylthio)benzimidazol-1-yl]methyl phosphate Formula: C13H16N3NaO6PS- MolecularWeight: 396.311171

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC2=C(C=C1)N(C(=N2)NC(=O)OC)COP(=O)([O-])[O-].[Na+]

Isomeric SMILES

CCCSC1=CC2=C(C=C1)N(C(=N2)NC(=O)OC)COP(=O)([O-])[O-].[Na+]

InChI

InChI=1S/C13H18N3O6PS.Na/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);/q;+1/p-2