2-[[5-(1,3-benzodioxol-5-ylcarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-ylcarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(1,3-benzodioxole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid IUPAC Name: 2-[[5-(1,3-benzodioxole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(piperonyloylamino)-1,3,4-thiadiazol-2-yl]thio]acetic acid Formula: C12H9N3O5S2 MolecularWeight: 339.34696

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NN=C(S3)SCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NN=C(S3)SCC(=O)O

InChI

InChI=1S/C12H9N3O5S2/c16-9(17)4-21-12-15-14-11(22-12)13-10(18)6-1-2-7-8(3-6)20-5-19-7/h1-3H,4-5H2,(H,16,17)(H,13,14,18)