methyl 3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C16H12N2O6S MolecularWeight: 360.34128

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CO1)CSC2=NN=C(O2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=C(C=CO1)CSC2=NN=C(O2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H12N2O6S/c1-20-15(19)13-10(4-5-21-13)7-25-16-18-17-14(24-16)9-2-3-11-12(6-9)23-8-22-11/h2-6H,7-8H2,1H3