[4-(1-hydroxyethyl)-2-methyl-5-(phenylcarbonylsulfanylmethyl)pyridin-3-yl] ethanoate

Systemtic Name: [4-(1-hydroxyethyl)-2-methyl-5-(phenylcarbonylsulfanylmethyl)pyridin-3-yl] ethanoate Openeye Name: [5-(benzoylsulfanylmethyl)-4-(1-hydroxyethyl)-2-methyl-3-pyridyl] acetate CAS Name: acetic acid [5-[(benzoylthio)methyl]-4-(1-hydroxyethyl)-2-methyl-3-pyridinyl] ester IUPAC Name: [5-(benzoylsulfanylmethyl)-4-(1-hydroxyethyl)-2-methylpyridin-3-yl] acetate Traditional Name: acetic acid [5-[(benzoylthio)methyl]-4-(1-hydroxyethyl)-2-methyl-3-pyridyl] ester Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1OC(=O)C)C(C)O)CSC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=NC=C(C(=C1OC(=O)C)C(C)O)CSC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H19NO4S/c1-11-17(23-13(3)21)16(12(2)20)15(9-19-11)10-24-18(22)14-7-5-4-6-8-14/h4-9,12,20H,10H2,1-3H3