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

Systemtic Name: methyl 2-[[5-(1,3-benzodioxol-5-ylcarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-(1,3-benzodioxole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(1,3-benzodioxole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-(piperonyloylamino)-1,3,4-thiadiazol-2-yl]thio]acetic acid methyl ester Formula: C13H11N3O5S2 MolecularWeight: 353.37354

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)CSC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H11N3O5S2/c1-19-10(17)5-22-13-16-15-12(23-13)14-11(18)7-2-3-8-9(4-7)21-6-20-8/h2-4H,5-6H2,1H3,(H,14,15,18)