5-[[5-[(5-methoxycarbonylfuran-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]azanidylsulfonyl]-6-oxidanylidene-1H-pyrimidin-2-olate

Systemtic Name: 5-[[5-[(5-methoxycarbonylfuran-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]azanidylsulfonyl]-6-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 5-[[5-[(5-methoxycarbonyl-2-furyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]azanidylsulfonyl]-6-oxo-1H-pyrimidin-2-olate CAS Name: 5-[[5-[(5-methoxycarbonyl-2-furanyl)methylthio]-1,3,4-thiadiazol-2-yl]azanidylsulfonyl]-6-oxo-1H-pyrimidin-2-olate IUPAC Name: 5-[[5-[(5-methoxycarbonylfuran-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]azanidylsulfonyl]-6-oxo-1H-pyrimidin-2-olate Traditional Name: 5-[[5-[(5-carbomethoxy-2-furyl)methylthio]-1,3,4-thiadiazol-2-yl]azanidylsulfonyl]-6-keto-1H-pyrimidin-2-olate Formula: C13H9N5O7S3-2 MolecularWeight: 443.43486

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NN=C(S2)[N-]S(=O)(=O)C3=CN=C(NC3=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NN=C(S2)[N-]S(=O)(=O)C3=CN=C(NC3=O)[O-]

InChI

InChI=1S/C13H11N5O7S3/c1-24-10(20)7-3-2-6(25-7)5-26-13-17-16-12(27-13)18-28(22,23)8-4-14-11(21)15-9(8)19/h2-4H,5H2,1H3,(H3,14,15,16,18,19,21)/p-2