[2-acetyloxy-4-[2-(6-methylsulfanyl-1,4-dihydropyrimidin-3-ium-3-yl)ethanoyl]phenyl] ethanoate chloride

Systemtic Name: [2-acetyloxy-4-[2-(6-methylsulfanyl-1,4-dihydropyrimidin-3-ium-3-yl)ethanoyl]phenyl] ethanoate chloride Openeye Name: [2-acetoxy-4-[2-(6-methylsulfanyl-1,4-dihydropyrimidin-3-ium-3-yl)acetyl]phenyl] acetate chloride CAS Name: acetic acid [2-acetyloxy-4-[2-[6-(methylthio)-1,4-dihydropyrimidin-3-ium-3-yl]-1-oxoethyl]phenyl] ester chloride IUPAC Name: [2-acetyloxy-4-[2-(6-methylsulfanyl-1,4-dihydropyrimidin-3-ium-3-yl)acetyl]phenyl] acetate chloride Traditional Name: acetic acid [2-acetoxy-4-[2-[6-(methylthio)-1,4-dihydropyrimidin-3-ium-3-yl]acetyl]phenyl] ester chloride Formula: C17H19ClN2O5S MolecularWeight: 398.86116

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C(=O)C[N+]2=CNC(=CC2)SC)OC(=O)C.[Cl-]

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C(=O)C[N+]2=CNC(=CC2)SC)OC(=O)C.[Cl-]

InChI

InChI=1S/C17H18N2O5S.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;/h4-6,8,10H,7,9H2,1-3H3;1H