methyl 4-(3,5-dimethylpyridin-1-ium-1-yl)-3-methyl-5-sulfanyl-thiophene-2-carboxylate

Systemtic Name: methyl 4-(3,5-dimethylpyridin-1-ium-1-yl)-3-methyl-5-sulfanyl-thiophene-2-carboxylate Openeye Name: methyl 4-(3,5-dimethylpyridin-1-ium-1-yl)-3-methyl-5-sulfanyl-thiophene-2-carboxylate CAS Name: 4-(3,5-dimethyl-1-pyridin-1-iumyl)-5-mercapto-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(3,5-dimethylpyridin-1-ium-1-yl)-3-methyl-5-sulfanylthiophene-2-carboxylate Traditional Name: 4-(3,5-dimethylpyridin-1-ium-1-yl)-5-mercapto-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C14H16NO2S2+ MolecularWeight: 294.41234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C[N+](=C1)C2=C(SC(=C2C)C(=O)OC)S)C

Isomeric SMILES

CC1=CC(=C[N+](=C1)C2=C(SC(=C2C)C(=O)OC)S)C

InChI

InChI=1S/C14H15NO2S2/c1-8-5-9(2)7-15(6-8)11-10(3)12(13(16)17-4)19-14(11)18/h5-7H,1-4H3/p+1