ethyl 5,5-bis(methylsulfanyl)-3-oxidanylidene-4-pyridin-1-ium-1-yl-pent-4-enoate

Systemtic Name: ethyl 5,5-bis(methylsulfanyl)-3-oxidanylidene-4-pyridin-1-ium-1-yl-pent-4-enoate Openeye Name: ethyl 5,5-bis(methylsulfanyl)-3-oxo-4-pyridin-1-ium-1-yl-pent-4-enoate CAS Name: 5,5-bis(methylthio)-3-oxo-4-(1-pyridin-1-iumyl)-4-pentenoic acid ethyl ester IUPAC Name: ethyl 5,5-bis(methylsulfanyl)-3-oxo-4-pyridin-1-ium-1-ylpent-4-enoate Traditional Name: 3-keto-5,5-bis(methylthio)-4-pyridin-1-ium-1-yl-pent-4-enoic acid ethyl ester Formula: C14H18NO3S2+ MolecularWeight: 312.42762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18NO3S2/c1-4-18-12(17)10-11(16)13(14(19-2)20-3)15-8-6-5-7-9-15/h5-9H,4,10H2,1-3H3/q+1