(E)-2-methyl-6-(2-oxidanylidene-3H-1,2-thiazol-2-ium-3-yl)hex-2-enoate

Systemtic Name: (E)-2-methyl-6-(2-oxidanylidene-3H-1,2-thiazol-2-ium-3-yl)hex-2-enoate Openeye Name: (E)-2-methyl-6-(2-oxo-3H-isothiazol-2-ium-3-yl)hex-2-enoate CAS Name: (E)-2-methyl-6-(2-oxo-3H-isothiazol-2-ium-3-yl)-2-hexenoate IUPAC Name: (E)-2-methyl-6-(2-oxo-3H-1,2-thiazol-2-ium-3-yl)hex-2-enoate Traditional Name: (E)-6-(2-keto-4-isothiazolin-2-ium-3-yl)-2-methyl-hex-2-enoate Formula: C10H13NO3S MolecularWeight: 227.28012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCCC1C=CS[N+]1=O)C(=O)[O-]

Isomeric SMILES

C/C(=C\CCCC1C=CS[N+]1=O)/C(=O)[O-]

InChI

InChI=1S/C10H13NO3S/c1-8(10(12)13)4-2-3-5-9-6-7-15-11(9)14/h4,6-7,9H,2-3,5H2,1H3/b8-4+