[2-acetyloxy-4-[2-(4-methylsulfanylpyrimidin-1-ium-1-yl)ethanoyl]phenyl] ethanoate chloride

Systemtic Name: [2-acetyloxy-4-[2-(4-methylsulfanylpyrimidin-1-ium-1-yl)ethanoyl]phenyl] ethanoate chloride Openeye Name: [2-acetoxy-4-[2-(4-methylsulfanylpyrimidin-1-ium-1-yl)acetyl]phenyl] acetate chloride CAS Name: acetic acid [2-acetyloxy-4-[2-[4-(methylthio)-1-pyrimidin-1-iumyl]-1-oxoethyl]phenyl] ester chloride IUPAC Name: [2-acetyloxy-4-[2-(4-methylsulfanylpyrimidin-1-ium-1-yl)acetyl]phenyl] acetate chloride Traditional Name: acetic acid [2-acetoxy-4-[2-[4-(methylthio)pyrimidin-1-ium-1-yl]acetyl]phenyl] ester chloride Formula: C17H17ClN2O5S MolecularWeight: 396.84528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C(=O)C[N+]2=CN=C(C=C2)SC)OC(=O)C.[Cl-]

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C(=O)C[N+]2=CN=C(C=C2)SC)OC(=O)C.[Cl-]

InChI

InChI=1S/C17H17N2O5S.ClH/c1-11(20)23-15-5-4-13(8-16(15)24-12(2)21)14(22)9-19-7-6-17(25-3)18-10-19;/h4-8,10H,9H2,1-3H3;1H/q+1;/p-1