[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C19H17ClN2O5S MolecularWeight: 420.86668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN2O5S/c1-24-15-7-4-11(8-16(15)25-2)18-21-17(27-22-18)10-26-19(23)13-9-12(28-3)5-6-14(13)20/h4-9H,10H2,1-3H3