2-(6-methylsulfonyl-1,3-benzoxazol-2-yl)ethanethioic S-acid

Systemtic Name: 2-(6-methylsulfonyl-1,3-benzoxazol-2-yl)ethanethioic S-acid Openeye Name: 2-(6-methylsulfonyl-1,3-benzoxazol-2-yl)ethanethioic S-acid CAS Name: 2-(6-methylsulfonyl-1,3-benzoxazol-2-yl)ethanethioic S-acid IUPAC Name: 2-(6-methylsulfonyl-1,3-benzoxazol-2-yl)ethanethioic S-acid Traditional Name: 2-(6-mesyl-1,3-benzoxazol-2-yl)thioacetic acid Formula: C10H9NO4S2 MolecularWeight: 271.31276

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(O2)CC(=O)S

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(O2)CC(=O)S

InChI

InChI=1S/C10H9NO4S2/c1-17(13,14)6-2-3-7-8(4-6)15-9(11-7)5-10(12)16/h2-4H,5H2,1H3,(H,12,16)