(2-tert-butylsulfanyl-1-ethanoyl-3-methyl-3-oxidanyl-2,4-dihydropyridin-4-yl) ethanoate

Systemtic Name: (2-tert-butylsulfanyl-1-ethanoyl-3-methyl-3-oxidanyl-2,4-dihydropyridin-4-yl) ethanoate Openeye Name: (1-acetyl-2-tert-butylsulfanyl-3-hydroxy-3-methyl-2,4-dihydropyridin-4-yl) acetate CAS Name: acetic acid [1-acetyl-2-(tert-butylthio)-3-hydroxy-3-methyl-2,4-dihydropyridin-4-yl] ester IUPAC Name: (1-acetyl-2-tert-butylsulfanyl-3-hydroxy-3-methyl-2,4-dihydropyridin-4-yl) acetate Traditional Name: acetic acid [1-acetyl-2-(tert-butylthio)-3-hydroxy-3-methyl-2,4-dihydropyridin-4-yl] ester Formula: C14H23NO4S MolecularWeight: 301.40172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC(C(C1SC(C)(C)C)(C)O)OC(=O)C

Isomeric SMILES

CC(=O)N1C=CC(C(C1SC(C)(C)C)(C)O)OC(=O)C

InChI

InChI=1S/C14H23NO4S/c1-9(16)15-8-7-11(19-10(2)17)14(6,18)12(15)20-13(3,4)5/h7-8,11-12,18H,1-6H3