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

Systemtic Name: methyl 4,5-dimethoxy-2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC

InChI

InChI=1S/C16H19N3O5S/c1-19-6-5-17-16(19)25-9-14(20)18-11-8-13(23-3)12(22-2)7-10(11)15(21)24-4/h5-8H,9H2,1-4H3,(H,18,20)