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

Systemtic Name: 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7,8-dimethyl-coumarin Formula: C22H20N2O5S MolecularWeight: 424.4696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O5S/c1-12-5-7-16-15(10-19(25)28-20(16)13(12)2)11-30-22-24-23-21(29-22)14-6-8-17(26-3)18(9-14)27-4/h5-10H,11H2,1-4H3