3-[2-(cyanomethylsulfanyl)ethanoylamino]-N-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-2-oxidanylidene-azetidine-3-carboxamide

Systemtic Name: 3-[2-(cyanomethylsulfanyl)ethanoylamino]-N-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-2-oxidanylidene-azetidine-3-carboxamide Openeye Name: 3-[[2-(cyanomethylsulfanyl)acetyl]amino]-N-[(5-methylisoxazol-3-yl)sulfamoyl]-2-oxo-azetidine-3-carboxamide CAS Name: 3-[[2-(cyanomethylthio)-1-oxoethyl]amino]-N-[(5-methyl-3-isoxazolyl)sulfamoyl]-2-oxo-3-azetidinecarboxamide IUPAC Name: 3-[[2-(cyanomethylsulfanyl)acetyl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-2-oxoazetidine-3-carboxamide Traditional Name: 3-[[2-(cyanomethylthio)acetyl]amino]-2-keto-N-[(5-methylisoxazol-3-yl)sulfamoyl]azetidine-3-carboxamide Formula: C12H14N6O6S2 MolecularWeight: 402.40616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NS(=O)(=O)NC(=O)C2(CNC2=O)NC(=O)CSCC#N

Isomeric SMILES

CC1=CC(=NO1)NS(=O)(=O)NC(=O)C2(CNC2=O)NC(=O)CSCC#N

InChI

InChI=1S/C12H14N6O6S2/c1-7-4-8(16-24-7)17-26(22,23)18-11(21)12(6-14-10(12)20)15-9(19)5-25-3-2-13/h4H,3,5-6H2,1H3,(H,14,20)(H,15,19)(H,16,17)(H,18,21)