sodium [5-(dimethoxyphosphorylamino)-1,2,4-thiadiazol-3-yl] (2E)-2-prop-2-enoxyiminoethanoate

Systemtic Name: sodium [5-(dimethoxyphosphorylamino)-1,2,4-thiadiazol-3-yl] (2E)-2-prop-2-enoxyiminoethanoate Openeye Name: sodium [5-(dimethoxyphosphorylamino)-1,2,4-thiadiazol-3-yl] (2E)-2-allyloxyiminoacetate CAS Name: sodium (2E)-2-prop-2-enoxyiminoacetic acid [5-(dimethoxyphosphorylamino)-1,2,4-thiadiazol-3-yl] ester IUPAC Name: sodium [5-(dimethoxyphosphorylamino)-1,2,4-thiadiazol-3-yl] (2E)-2-prop-2-enoxyiminoacetate Traditional Name: sodium (2E)-2-allyloximinoacetic acid [5-(dimethoxyphosphorylamino)-1,2,4-thiadiazol-3-yl] ester Formula: C9H13N4NaO6PS+ MolecularWeight: 359.251251

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(NC1=NC(=NS1)OC(=O)C=NOCC=C)OC.[Na+]

Isomeric SMILES

COP(=O)(NC1=NC(=NS1)OC(=O)/C=N/OCC=C)OC.[Na+]

InChI

InChI=1S/C9H13N4O6PS.Na/c1-4-5-18-10-6-7(14)19-8-11-9(21-13-8)12-20(15,16-2)17-3;/h4,6H,1,5H2,2-3H3,(H,11,12,13,15);/q;+1/b10-6+;