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

Systemtic Name: ethyl 4-(3,5-dimethylpyridin-1-ium-1-yl)-5-ethylsulfanyl-3-oxidanylidene-5-sulfanyl-pent-4-enoate Openeye Name: ethyl 4-(3,5-dimethylpyridin-1-ium-1-yl)-5-ethylsulfanyl-3-oxo-5-sulfanyl-pent-4-enoate CAS Name: 4-(3,5-dimethyl-1-pyridin-1-iumyl)-5-(ethylthio)-5-mercapto-3-oxo-4-pentenoic acid ethyl ester IUPAC Name: ethyl 4-(3,5-dimethylpyridin-1-ium-1-yl)-5-ethylsulfanyl-3-oxo-5-sulfanylpent-4-enoate Traditional Name: 4-(3,5-dimethylpyridin-1-ium-1-yl)-5-(ethylthio)-3-keto-5-mercapto-pent-4-enoic acid ethyl ester Formula: C16H22NO3S2+ MolecularWeight: 340.48078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3S2/c1-5-20-14(19)8-13(18)15(16(21)22-6-2)17-9-11(3)7-12(4)10-17/h7,9-10H,5-6,8H2,1-4H3/p+1