S-[[4-(ethanoylsulfanylmethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyl] ethanethioate

Systemtic Name: S-[[4-(ethanoylsulfanylmethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyl] ethanethioate Openeye Name: S-[[4-(acetylsulfanylmethyl)-5-hydroxy-6-methyl-3-pyridyl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[4-[(acetylthio)methyl]-5-hydroxy-6-methyl-3-pyridinyl]methyl] ester IUPAC Name: S-[[4-(acetylsulfanylmethyl)-5-hydroxy-6-methylpyridin-3-yl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[[4-[(acetylthio)methyl]-5-hydroxy-6-methyl-3-pyridyl]methyl] ester Formula: C12H15NO3S2 MolecularWeight: 285.3824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CSC(=O)C)CSC(=O)C

Isomeric SMILES

CC1=NC=C(C(=C1O)CSC(=O)C)CSC(=O)C

InChI

InChI=1S/C12H15NO3S2/c1-7-12(16)11(6-18-9(3)15)10(4-13-7)5-17-8(2)14/h4,16H,5-6H2,1-3H3