[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: [2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: [2-(3-acetylanilino)-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-(3-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-acetylanilino)-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-(3-acetylanilino)-2-keto-ethyl] ester Formula: C23H22N4O5S MolecularWeight: 466.50958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O5S/c1-15(28)16-6-5-7-17(12-16)25-20(29)13-32-22(31)18-8-3-4-9-19(18)26-21(30)14-33-23-24-10-11-27(23)2/h3-12H,13-14H2,1-2H3,(H,25,29)(H,26,30)