2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]benzoic acid

Systemtic Name: 2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]benzoic acid Openeye Name: 2-[[3-(2-methoxyphenyl)isoxazol-5-yl]methylsulfanyl]benzoic acid CAS Name: 2-[[3-(2-methoxyphenyl)-5-isoxazolyl]methylthio]benzoic acid IUPAC Name: 2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]benzoic acid Traditional Name: 2-[[3-(2-methoxyphenyl)isoxazol-5-yl]methylthio]benzoic acid Formula: C18H15NO4S MolecularWeight: 341.381

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NOC(=C2)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C2=NOC(=C2)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H15NO4S/c1-22-16-8-4-2-6-13(16)15-10-12(23-19-15)11-24-17-9-5-3-7-14(17)18(20)21/h2-10H,11H2,1H3,(H,20,21)