[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-phenylsulfanylprop-2-enoate

Systemtic Name: [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-phenylsulfanylprop-2-enoate Openeye Name: [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-phenylsulfanylprop-2-enoate CAS Name: (E)-3-(phenylthio)-2-propenoic acid [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-phenylsulfanylprop-2-enoate Traditional Name: (E)-3-(phenylthio)acrylic acid [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NOC(=N2)COC(=O)C=CSC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NOC(=N2)COC(=O)/C=C/SC3=CC=CC=C3)OC

InChI

InChI=1S/C20H18N2O5S/c1-24-14-8-9-16(17(12-14)25-2)20-21-18(27-22-20)13-26-19(23)10-11-28-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3/b11-10+