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

Systemtic Name: methyl 2-[5-(1,3-benzodioxol-5-ylcarbonylamino)-1,3,4-thiadiazol-2-yl]ethanoate Openeye Name: methyl 2-[5-(1,3-benzodioxole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]acetate CAS Name: 2-[5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1,3,4-thiadiazol-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5-(1,3-benzodioxole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]acetate Traditional Name: 2-[5-(piperonyloylamino)-1,3,4-thiadiazol-2-yl]acetic acid methyl ester Formula: C13H11N3O5S MolecularWeight: 321.30854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)CC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3

InChI

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