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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(O3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(O3)C4=CC(=C(C=C4)OC)OC

InChI

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