ethyl 5-methylsulfanyl-3-oxidanylidene-4-pyridin-1-ium-1-yl-5-sulfanyl-pent-4-enoate

Systemtic Name: ethyl 5-methylsulfanyl-3-oxidanylidene-4-pyridin-1-ium-1-yl-5-sulfanyl-pent-4-enoate Openeye Name: ethyl 5-methylsulfanyl-3-oxo-4-pyridin-1-ium-1-yl-5-sulfanyl-pent-4-enoate CAS Name: 5-mercapto-5-(methylthio)-3-oxo-4-(1-pyridin-1-iumyl)-4-pentenoic acid ethyl ester IUPAC Name: ethyl 5-methylsulfanyl-3-oxo-4-pyridin-1-ium-1-yl-5-sulfanylpent-4-enoate Traditional Name: 3-keto-5-mercapto-5-(methylthio)-4-pyridin-1-ium-1-yl-pent-4-enoic acid ethyl ester Formula: C13H16NO3S2+ MolecularWeight: 298.40104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO3S2/c1-3-17-11(16)9-10(15)12(13(18)19-2)14-7-5-4-6-8-14/h4-8H,3,9H2,1-2H3/p+1