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

Systemtic Name: sodium 3-[2-(cyanomethylsulfanyl)ethanoylamino]-3-methoxy-2-oxidanylidene-azetidine-1-sulfonate Openeye Name: sodium 3-[[2-(cyanomethylsulfanyl)acetyl]amino]-3-methoxy-2-oxo-azetidine-1-sulfonate CAS Name: sodium 3-[[2-(cyanomethylthio)-1-oxoethyl]amino]-3-methoxy-2-oxo-1-azetidinesulfonate IUPAC Name: sodium 3-[[2-(cyanomethylsulfanyl)acetyl]amino]-3-methoxy-2-oxoazetidine-1-sulfonate Traditional Name: sodium 3-[[2-(cyanomethylthio)acetyl]amino]-2-keto-3-methoxy-azetidine-1-sulfonate Formula: C8H10N3NaO6S2 MolecularWeight: 331.30127

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1(CN(C1=O)S(=O)(=O)[O-])NC(=O)CSCC#N.[Na+]

Isomeric SMILES

COC1(CN(C1=O)S(=O)(=O)[O-])NC(=O)CSCC#N.[Na+]

InChI

InChI=1S/C8H11N3O6S2.Na/c1-17-8(10-6(12)4-18-3-2-9)5-11(7(8)13)19(14,15)16;/h3-5H2,1H3,(H,10,12)(H,14,15,16);/q;+1/p-1