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

Systemtic Name: [2-acetyloxy-4-[2-(6-methylsulfanyl-1,4-dihydropyrimidin-3-ium-3-yl)ethanoyl]phenyl] ethanoate Openeye Name: [2-acetoxy-4-[2-(6-methylsulfanyl-1,4-dihydropyrimidin-3-ium-3-yl)acetyl]phenyl] acetate CAS Name: acetic acid [2-acetyloxy-4-[2-[6-(methylthio)-1,4-dihydropyrimidin-3-ium-3-yl]-1-oxoethyl]phenyl] ester IUPAC Name: [2-acetyloxy-4-[2-(6-methylsulfanyl-1,4-dihydropyrimidin-3-ium-3-yl)acetyl]phenyl] acetate Traditional Name: acetic acid [2-acetoxy-4-[2-[6-(methylthio)-1,4-dihydropyrimidin-3-ium-3-yl]acetyl]phenyl] ester Formula: C17H19N2O5S+ MolecularWeight: 363.40816

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O5S/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/p+1