ethyl 5-ethylsulfanyl-4-(4-methylpyridin-1-ium-1-yl)-3-oxidanylidene-5-sulfanyl-pent-4-enoate

Systemtic Name: ethyl 5-ethylsulfanyl-4-(4-methylpyridin-1-ium-1-yl)-3-oxidanylidene-5-sulfanyl-pent-4-enoate Openeye Name: ethyl 5-ethylsulfanyl-4-(4-methylpyridin-1-ium-1-yl)-3-oxo-5-sulfanyl-pent-4-enoate CAS Name: 5-(ethylthio)-5-mercapto-4-(4-methyl-1-pyridin-1-iumyl)-3-oxo-4-pentenoic acid ethyl ester IUPAC Name: ethyl 5-ethylsulfanyl-4-(4-methylpyridin-1-ium-1-yl)-3-oxo-5-sulfanylpent-4-enoate Traditional Name: 5-(ethylthio)-3-keto-5-mercapto-4-(4-methylpyridin-1-ium-1-yl)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)SCC)[N+]1=CC=C(C=C1)C

Isomeric SMILES

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

InChI

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