1,3-benzodioxol-5-ylmethyl 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 1,3-benzodioxol-5-ylmethyl 2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]acetic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]acetic acid piperonyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC2=CC3=C(C=C2)OCO3)C4=CC=CO4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC2=CC3=C(C=C2)OCO3)C4=CC=CO4

InChI

InChI=1S/C18H17N3O5S/c1-2-21-17(14-4-3-7-23-14)19-20-18(21)27-10-16(22)24-9-12-5-6-13-15(8-12)26-11-25-13/h3-8H,2,9-11H2,1H3