ethyl 4-(3,5-dimethylpyridin-1-ium-1-yl)-5-methylsulfanyl-3-oxidanylidene-5-sulfanyl-pent-4-enoate

Systemtic Name: ethyl 4-(3,5-dimethylpyridin-1-ium-1-yl)-5-methylsulfanyl-3-oxidanylidene-5-sulfanyl-pent-4-enoate Openeye Name: ethyl 4-(3,5-dimethylpyridin-1-ium-1-yl)-5-methylsulfanyl-3-oxo-5-sulfanyl-pent-4-enoate CAS Name: 4-(3,5-dimethyl-1-pyridin-1-iumyl)-5-mercapto-5-(methylthio)-3-oxo-4-pentenoic acid ethyl ester IUPAC Name: ethyl 4-(3,5-dimethylpyridin-1-ium-1-yl)-5-methylsulfanyl-3-oxo-5-sulfanylpent-4-enoate Traditional Name: 4-(3,5-dimethylpyridin-1-ium-1-yl)-3-keto-5-mercapto-5-(methylthio)pent-4-enoic acid ethyl ester Formula: C15H20NO3S2+ MolecularWeight: 326.4542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)C(=C(S)SC)[N+]1=CC(=CC(=C1)C)C

Isomeric SMILES

CCOC(=O)CC(=O)C(=C(S)SC)[N+]1=CC(=CC(=C1)C)C

InChI

InChI=1S/C15H19NO3S2/c1-5-19-13(18)7-12(17)14(15(20)21-4)16-8-10(2)6-11(3)9-16/h6,8-9H,5,7H2,1-4H3/p+1