[4-[(2-ethanoylsulfanylimidazol-1-yl)methyl]phenyl] ethanoate hydrochloride

Systemtic Name: [4-[(2-ethanoylsulfanylimidazol-1-yl)methyl]phenyl] ethanoate hydrochloride Openeye Name: [4-[(2-acetylsulfanylimidazol-1-yl)methyl]phenyl] acetate hydrochloride CAS Name: acetic acid [4-[[2-(acetylthio)-1-imidazolyl]methyl]phenyl] ester hydrochloride IUPAC Name: [4-[(2-acetylsulfanylimidazol-1-yl)methyl]phenyl] acetate hydrochloride Traditional Name: acetic acid [4-[[2-(acetylthio)imidazol-1-yl]methyl]phenyl] ester hydrochloride Formula: C14H15ClN2O3S MolecularWeight: 326.7985

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)CN2C=CN=C2SC(=O)C.Cl

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)CN2C=CN=C2SC(=O)C.Cl

InChI

InChI=1S/C14H14N2O3S.ClH/c1-10(17)19-13-5-3-12(4-6-13)9-16-8-7-15-14(16)20-11(2)18;/h3-8H,9H2,1-2H3;1H