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

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)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-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=CC=C2C(=O)OCC(=O)C3=CC=CN3

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=CC=C2C(=O)OCC(=O)C3=CC=CN3

InChI

InChI=1S/C19H18N4O4S/c1-23-10-9-21-19(23)28-12-17(25)22-14-6-3-2-5-13(14)18(26)27-11-16(24)15-7-4-8-20-15/h2-10,20H,11-12H2,1H3,(H,22,25)