sodium 3-[2-(cyanomethylsulfanyl)ethanoylamino]-2-oxidanylidene-azetidine-1-sulfonate

Systemtic Name: sodium 3-[2-(cyanomethylsulfanyl)ethanoylamino]-2-oxidanylidene-azetidine-1-sulfonate Openeye Name: sodium 3-[[2-(cyanomethylsulfanyl)acetyl]amino]-2-oxo-azetidine-1-sulfonate CAS Name: sodium 3-[[2-(cyanomethylthio)-1-oxoethyl]amino]-2-oxo-1-azetidinesulfonate IUPAC Name: sodium 3-[[2-(cyanomethylsulfanyl)acetyl]amino]-2-oxoazetidine-1-sulfonate Traditional Name: sodium 3-[[2-(cyanomethylthio)acetyl]amino]-2-keto-azetidine-1-sulfonate Formula: C7H8N3NaO5S2 MolecularWeight: 301.27529

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N1S(=O)(=O)[O-])NC(=O)CSCC#N.[Na+]

Isomeric SMILES

C1C(C(=O)N1S(=O)(=O)[O-])NC(=O)CSCC#N.[Na+]

InChI

InChI=1S/C7H9N3O5S2.Na/c8-1-2-16-4-6(11)9-5-3-10(7(5)12)17(13,14)15;/h5H,2-4H2,(H,9,11)(H,13,14,15);/q;+1/p-1