(5-ethanoyl-2,4-dimethoxy-phenyl)methyl 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: (5-ethanoyl-2,4-dimethoxy-phenyl)methyl 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: (5-acetyl-2,4-dimethoxy-phenyl)methyl 2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid (5-acetyl-2,4-dimethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2,4-dimethoxyphenyl)methyl 2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzoic acid (5-acetyl-2,4-dimethoxy-benzyl) ester Formula: C24H25N3O6S MolecularWeight: 483.5368

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1OC)OC)COC(=O)C2=CC=CC=C2NC(=O)CSC3=NC=CN3C

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1OC)OC)COC(=O)C2=CC=CC=C2NC(=O)CSC3=NC=CN3C

InChI

InChI=1S/C24H25N3O6S/c1-15(28)18-11-16(20(31-3)12-21(18)32-4)13-33-23(30)17-7-5-6-8-19(17)26-22(29)14-34-24-25-9-10-27(24)2/h5-12H,13-14H2,1-4H3,(H,26,29)