2-(1,3-benzodioxol-5-yl)-5-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-1,3,4-oxadiazole

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(1,3-benzodioxol-5-yl)-5-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(1,3-benzodioxol-5-yl)-5-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-[(5-ethoxy-2-methyl-coumaran-6-yl)methylthio]-1,3,4-oxadiazole Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CSC3=NN=C(O3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)CSC3=NN=C(O3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H20N2O5S/c1-3-24-17-8-14-6-12(2)27-18(14)9-15(17)10-29-21-23-22-20(28-21)13-4-5-16-19(7-13)26-11-25-16/h4-5,7-9,12H,3,6,10-11H2,1-2H3