(E)-ethoxy-[2-(2-hydroxyethylsulfanyl)-3-methyl-4-oxidanylidene-1,3-thiazol-3-ium-5-ylidene]methanolate

Systemtic Name: (E)-ethoxy-[2-(2-hydroxyethylsulfanyl)-3-methyl-4-oxidanylidene-1,3-thiazol-3-ium-5-ylidene]methanolate Openeye Name: (E)-ethoxy-[2-(2-hydroxyethylsulfanyl)-3-methyl-4-oxo-thiazol-3-ium-5-ylidene]methanolate CAS Name: (E)-ethoxy-[2-(2-hydroxyethylthio)-3-methyl-4-oxo-5-thiazol-3-iumylidene]methanolate IUPAC Name: (E)-ethoxy-[2-(2-hydroxyethylsulfanyl)-3-methyl-4-oxo-1,3-thiazol-3-ium-5-ylidene]methanolate Traditional Name: (E)-ethoxy-[2-(2-hydroxyethylthio)-4-keto-3-methyl-2-thiazolin-3-ium-5-ylidene]methanolate Formula: C9H13NO4S2 MolecularWeight: 263.33382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C1C(=O)[N+](=C(S1)SCCO)C)[O-]

Isomeric SMILES

CCO/C(=C/1\C(=O)[N+](=C(S1)SCCO)C)/[O-]

InChI

InChI=1S/C9H13NO4S2/c1-3-14-8(13)6-7(12)10(2)9(16-6)15-5-4-11/h11H,3-5H2,1-2H3