methyl 3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate

Systemtic Name: methyl 3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate Openeye Name: methyl 3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate CAS Name: 3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]propionic acid methyl ester Formula: C13H12N2O5S MolecularWeight: 308.30978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=NN=C(O1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)CCSC1=NN=C(O1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H12N2O5S/c1-17-11(16)4-5-21-13-15-14-12(20-13)8-2-3-9-10(6-8)19-7-18-9/h2-3,6H,4-5,7H2,1H3