3-[[(2Z)-2-(2-azaniumyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-sulfanylidene-azetidine-1-sulfonate

Systemtic Name: 3-[[(2Z)-2-(2-azaniumyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-sulfanylidene-azetidine-1-sulfonate Openeye Name: 3-[[(2Z)-2-(2-azaniumylthiazol-4-yl)-2-methoxyimino-acetyl]amino]-2-thioxo-azetidine-1-sulfonate CAS Name: 3-[[(2Z)-2-(2-ammonio-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-2-sulfanylidene-1-azetidinesulfonate IUPAC Name: 3-[[(2Z)-2-(2-azaniumyl-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-sulfanylideneazetidine-1-sulfonate Traditional Name: 3-[[(2Z)-2-(2-ammoniothiazol-4-yl)-2-methyloximino-acetyl]amino]-2-thioxo-azetidine-1-sulfonate Formula: C9H11N5O5S3 MolecularWeight: 365.40914

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=CSC(=N1)[NH3+])C(=O)NC2CN(C2=S)S(=O)(=O)[O-]

Isomeric SMILES

CO/N=C(/C1=CSC(=N1)[NH3+])\C(=O)NC2CN(C2=S)S(=O)(=O)[O-]

InChI

InChI=1S/C9H11N5O5S3/c1-19-13-6(5-3-21-9(10)12-5)7(15)11-4-2-14(8(4)20)22(16,17)18/h3-4H,2H2,1H3,(H2,10,12)(H,11,15)(H,16,17,18)/b13-6-