4-[5-(2-phenoxyethylsulfanylmethyl)-1,2-oxazol-3-yl]benzoic acid

Systemtic Name: 4-[5-(2-phenoxyethylsulfanylmethyl)-1,2-oxazol-3-yl]benzoic acid Openeye Name: 4-[5-(2-phenoxyethylsulfanylmethyl)isoxazol-3-yl]benzoic acid CAS Name: 4-[5-[(2-phenoxyethylthio)methyl]-3-isoxazolyl]benzoic acid IUPAC Name: 4-[5-(2-phenoxyethylsulfanylmethyl)-1,2-oxazol-3-yl]benzoic acid Traditional Name: 4-[5-[(2-phenoxyethylthio)methyl]isoxazol-3-yl]benzoic acid Formula: C19H17NO4S MolecularWeight: 355.40758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCSCC2=CC(=NO2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCSCC2=CC(=NO2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H17NO4S/c21-19(22)15-8-6-14(7-9-15)18-12-17(24-20-18)13-25-11-10-23-16-4-2-1-3-5-16/h1-9,12H,10-11,13H2,(H,21,22)