[2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: [2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: [2-oxo-2-(5-quinolylamino)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-(5-quinolinylamino)ethyl] ester IUPAC Name: [2-oxo-2-(quinolin-5-ylamino)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-(5-quinolylamino)ethyl] ester Formula: C24H21N5O4S MolecularWeight: 475.51964

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=CC=C2C(=O)OCC(=O)NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=CC=C2C(=O)OCC(=O)NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C24H21N5O4S/c1-29-13-12-26-24(29)34-15-22(31)28-20-8-3-2-6-17(20)23(32)33-14-21(30)27-19-10-4-9-18-16(19)7-5-11-25-18/h2-13H,14-15H2,1H3,(H,27,30)(H,28,31)