4-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-6-ethyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-[[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]-6-ethyl-7-hydroxy-coumarin Formula: C22H18N2O6S MolecularWeight: 438.45312

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(O3)C4COC5=CC=CC=C5O4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(O3)C4COC5=CC=CC=C5O4)O

InChI

InChI=1S/C22H18N2O6S/c1-2-12-7-14-13(8-20(26)29-18(14)9-15(12)25)11-31-22-24-23-21(30-22)19-10-27-16-5-3-4-6-17(16)28-19/h3-9,19,25H,2,10-11H2,1H3