3-[2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoyl]chromen-2-one

Systemtic Name: 3-[2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoyl]chromen-2-one Openeye Name: 3-[2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]chromen-2-one CAS Name: 3-[2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-oxoethyl]-1-benzopyran-2-one IUPAC Name: 3-[2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]chromen-2-one Traditional Name: 3-[2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]acetyl]coumarin Formula: C21H16N2O6S MolecularWeight: 424.42654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(O2)SCC(=O)C3=CC4=CC=CC=C4OC3=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(O2)SCC(=O)C3=CC4=CC=CC=C4OC3=O)OC

InChI

InChI=1S/C21H16N2O6S/c1-26-17-8-7-13(10-18(17)27-2)19-22-23-21(29-19)30-11-15(24)14-9-12-5-3-4-6-16(12)28-20(14)25/h3-10H,11H2,1-2H3