(2-oxidanylidene-1,3-benzoxathiol-5-yl) 3-methylbutanoate

Systemtic Name: (2-oxidanylidene-1,3-benzoxathiol-5-yl) 3-methylbutanoate Openeye Name: (2-oxo-1,3-benzoxathiol-5-yl) 3-methylbutanoate CAS Name: 3-methylbutanoic acid (2-oxo-1,3-benzoxathiol-5-yl) ester IUPAC Name: (2-oxo-1,3-benzoxathiol-5-yl) 3-methylbutanoate Traditional Name: 3-methylbutyric acid (2-keto-1,3-benzoxathiol-5-yl) ester Formula: C12H12O4S MolecularWeight: 252.28628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OC1=CC2=C(C=C1)OC(=O)S2

Isomeric SMILES

CC(C)CC(=O)OC1=CC2=C(C=C1)OC(=O)S2

InChI

InChI=1S/C12H12O4S/c1-7(2)5-11(13)15-8-3-4-9-10(6-8)17-12(14)16-9/h3-4,6-7H,5H2,1-2H3