3-[2-(cyanomethylsulfanyl)ethanoylamino]-3-methoxy-2-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: 3-[2-(cyanomethylsulfanyl)ethanoylamino]-3-methoxy-2-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-[[2-(cyanomethylsulfanyl)acetyl]amino]-3-methoxy-2-oxo-azetidine-1-sulfonic acid CAS Name: 3-[[2-(cyanomethylthio)-1-oxoethyl]amino]-3-methoxy-2-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[[2-(cyanomethylsulfanyl)acetyl]amino]-3-methoxy-2-oxoazetidine-1-sulfonic acid Traditional Name: 3-[[2-(cyanomethylthio)acetyl]amino]-2-keto-3-methoxy-azetidine-1-sulfonic acid Formula: C8H11N3O6S2 MolecularWeight: 309.31944

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CN(C1=O)S(=O)(=O)O)NC(=O)CSCC#N

Isomeric SMILES

COC1(CN(C1=O)S(=O)(=O)O)NC(=O)CSCC#N

InChI

InChI=1S/C8H11N3O6S2/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)