4-methoxy-3-(1,3,4-thiadiazol-2-ylazanidylsulfonyl)benzoate

Systemtic Name: 4-methoxy-3-(1,3,4-thiadiazol-2-ylazanidylsulfonyl)benzoate Openeye Name: 4-methoxy-3-(1,3,4-thiadiazol-2-ylazanidylsulfonyl)benzoate CAS Name: 4-methoxy-3-(1,3,4-thiadiazol-2-ylazanidylsulfonyl)benzoate IUPAC Name: 4-methoxy-3-(1,3,4-thiadiazol-2-ylazanidylsulfonyl)benzoate Traditional Name: 4-methoxy-3-(1,3,4-thiadiazol-2-ylazanidylsulfonyl)benzoate Formula: C10H7N3O5S2-2 MolecularWeight: 313.30968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)[N-]C2=NN=CS2

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)[N-]C2=NN=CS2

InChI

InChI=1S/C10H9N3O5S2/c1-18-7-3-2-6(9(14)15)4-8(7)20(16,17)13-10-12-11-5-19-10/h2-5H,1H3,(H2,12,13,14,15)/p-2