2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]benzoic acid

Systemtic Name: 2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]benzoic acid Openeye Name: 2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]benzoic acid CAS Name: 2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]benzoic acid IUPAC Name: 2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]benzoic acid Traditional Name: 2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]benzoic acid Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)CSC3=CC=CC=C3C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)CSC3=CC=CC=C3C(=O)O)OC

InChI

InChI=1S/C18H16N2O5S/c1-23-13-8-7-11(9-14(13)24-2)17-19-16(25-20-17)10-26-15-6-4-3-5-12(15)18(21)22/h3-9H,10H2,1-2H3,(H,21,22)