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

Systemtic Name: ethyl 2-[[5-(1,3-benzodioxol-5-ylcarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C14H13N3O5S2 MolecularWeight: 367.40012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O5S2/c1-2-20-11(18)6-23-14-17-16-13(24-14)15-12(19)8-3-4-9-10(5-8)22-7-21-9/h3-5H,2,6-7H2,1H3,(H,15,16,19)