(4-acetyloxyphenyl) 2-(1-methylimidazol-2-yl)sulfanylethanoate

Systemtic Name: (4-acetyloxyphenyl) 2-(1-methylimidazol-2-yl)sulfanylethanoate Openeye Name: (4-acetoxyphenyl) 2-(1-methylimidazol-2-yl)sulfanylacetate CAS Name: 2-[(1-methyl-2-imidazolyl)thio]acetic acid (4-acetyloxyphenyl) ester IUPAC Name: (4-acetyloxyphenyl) 2-(1-methylimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-methylimidazol-2-yl)thio]acetic acid (4-acetoxyphenyl) ester Formula: C14H14N2O4S MolecularWeight: 306.33696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)OC(=O)CSC2=NC=CN2C

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)OC(=O)CSC2=NC=CN2C

InChI

InChI=1S/C14H14N2O4S/c1-10(17)19-11-3-5-12(6-4-11)20-13(18)9-21-14-15-7-8-16(14)2/h3-8H,9H2,1-2H3