[(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: [(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: [(1S)-1-methyl-2-[(3-methylisoxazol-5-yl)amino]-2-oxo-ethyl] 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [(2S)-1-[(3-methyl-5-isoxazolyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [(1S)-2-keto-1-methyl-2-[(3-methylisoxazol-5-yl)amino]ethyl] ester Formula: C17H18N4O6S MolecularWeight: 406.41302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N

Isomeric SMILES

CC1=NOC(=C1)NC(=O)[C@H](C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N

InChI

InChI=1S/C17H18N4O6S/c1-11-10-15(27-21-11)20-16(22)12(2)26-17(23)13-4-6-14(7-5-13)28(24,25)19-9-3-8-18/h4-7,10,12,19H,3,9H2,1-2H3,(H,20,22)/t12-/m0/s1