3-[3-(phenylsulfonyloxy)-1,2-oxazol-5-yl]propanethioic S-acid

Systemtic Name: 3-[3-(phenylsulfonyloxy)-1,2-oxazol-5-yl]propanethioic S-acid Openeye Name: 3-[3-(benzenesulfonyloxy)isoxazol-5-yl]propanethioic S-acid CAS Name: 3-[3-(benzenesulfonyloxy)-5-isoxazolyl]propanethioic S-acid IUPAC Name: 3-[3-(benzenesulfonyloxy)-1,2-oxazol-5-yl]propanethioic S-acid Traditional Name: 3-(3-besyloxyisoxazol-5-yl)thiopropionic acid Formula: C12H11NO5S2 MolecularWeight: 313.34944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OC2=NOC(=C2)CCC(=O)S

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OC2=NOC(=C2)CCC(=O)S

InChI

InChI=1S/C12H11NO5S2/c14-12(19)7-6-9-8-11(13-17-9)18-20(15,16)10-4-2-1-3-5-10/h1-5,8H,6-7H2,(H,14,19)