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

Systemtic Name: 4-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7-hydroxy-8-methyl-coumarin Formula: C21H18N2O6S MolecularWeight: 426.44242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=C(O3)C4=CC(=CC(=C4)OC)OC)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=C(O3)C4=CC(=CC(=C4)OC)OC)O

InChI

InChI=1S/C21H18N2O6S/c1-11-17(24)5-4-16-13(8-18(25)28-19(11)16)10-30-21-23-22-20(29-21)12-6-14(26-2)9-15(7-12)27-3/h4-9,24H,10H2,1-3H3