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

Systemtic Name: 2-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]benzoic acid Openeye Name: 2-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]benzoic acid CAS Name: 2-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]benzoic acid IUPAC Name: 2-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]benzoic acid Traditional Name: 2-[(3-o-phenetyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NOC(=N2)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1C2=NOC(=N2)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H16N2O4S/c1-2-23-14-9-5-3-7-12(14)17-19-16(24-20-17)11-25-15-10-6-4-8-13(15)18(21)22/h3-10H,2,11H2,1H3,(H,21,22)