[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 4-methyl-1,2,3-thiadiazole-5-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 4-methyl-1,2,3-thiadiazole-5-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 4-methylthiadiazole-5-carboxylate CAS Name: 4-methyl-5-thiadiazolecarboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate Traditional Name: 4-methylthiadiazole-5-carboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C13H11N3O5S MolecularWeight: 321.30854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN=N1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(SN=N1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H11N3O5S/c1-7-12(22-16-15-7)13(18)19-5-11(17)14-8-2-3-9-10(4-8)21-6-20-9/h2-4H,5-6H2,1H3,(H,14,17)