4-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7,8-dimethyl-coumarin Formula: C21H16N2O5S MolecularWeight: 408.42714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(O3)C4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(O3)C4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C21H16N2O5S/c1-11-3-5-15-14(8-18(24)27-19(15)12(11)2)9-29-21-23-22-20(28-21)13-4-6-16-17(7-13)26-10-25-16/h3-8H,9-10H2,1-2H3