2-azanyl-3-[(3E)-3-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]hydrazinylidene]-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[(3E)-3-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]hydrazinylidene]-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propanoic acid Openeye Name: 2-amino-3-[(3E)-3-[[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]hydrazono]-4-oxo-cyclohexa-1,5-dien-1-yl]propanoic acid CAS Name: 2-amino-3-[(3E)-3-[[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]hydrazinylidene]-4-oxo-1-cyclohexa-1,5-dienyl]propanoic acid IUPAC Name: 2-amino-3-[(3E)-3-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]hydrazinylidene]-4-oxocyclohexa-1,5-dien-1-yl]propanoic acid Traditional Name: 2-amino-3-[(3E)-4-keto-3-[[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]hydrazono]cyclohexa-1,5-dien-1-yl]propionic acid Formula: C19H19N5O6S MolecularWeight: 445.44906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NN=C3C=C(C=CC3=O)CC(C(=O)O)N

Isomeric SMILES

CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N/N=C/3\C=C(C=CC3=O)CC(C(=O)O)N

InChI

InChI=1S/C19H19N5O6S/c1-11-8-18(23-30-11)24-31(28,29)14-5-3-13(4-6-14)21-22-16-10-12(2-7-17(16)25)9-15(20)19(26)27/h2-8,10,15,21H,9,20H2,1H3,(H,23,24)(H,26,27)/b22-16+