[2-(dimethylamino)-2-oxidanylidene-ethyl] 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] 2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] 2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzoic acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=CC=C2C(=O)OCC(=O)N(C)C

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=CC=C2C(=O)OCC(=O)N(C)C

InChI

InChI=1S/C17H20N4O4S/c1-20(2)15(23)10-25-16(24)12-6-4-5-7-13(12)19-14(22)11-26-17-18-8-9-21(17)3/h4-9H,10-11H2,1-3H3,(H,19,22)