2-dimethoxyphosphorylethyl 1,2,3-benzothiadiazole-7-carboxylate

Systemtic Name: 2-dimethoxyphosphorylethyl 1,2,3-benzothiadiazole-7-carboxylate Openeye Name: 2-dimethoxyphosphorylethyl 1,2,3-benzothiadiazole-7-carboxylate CAS Name: 1,2,3-benzothiadiazole-7-carboxylic acid 2-dimethoxyphosphorylethyl ester IUPAC Name: 2-dimethoxyphosphorylethyl 1,2,3-benzothiadiazole-7-carboxylate Traditional Name: 1,2,3-benzothiadiazole-7-carboxylic acid 2-dimethoxyphosphorylethyl ester Formula: C11H13N2O5PS MolecularWeight: 316.270081

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(CCOC(=O)C1=C2C(=CC=C1)N=NS2)OC

Isomeric SMILES

COP(=O)(CCOC(=O)C1=C2C(=CC=C1)N=NS2)OC

InChI

InChI=1S/C11H13N2O5PS/c1-16-19(15,17-2)7-6-18-11(14)8-4-3-5-9-10(8)20-13-12-9/h3-5H,6-7H2,1-2H3