3-[2-(2,3-dihydro-1,4-oxathiin-6-yl)ethanoylamino]-2-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: 3-[2-(2,3-dihydro-1,4-oxathiin-6-yl)ethanoylamino]-2-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-[[2-(2,3-dihydro-1,4-oxathiin-6-yl)acetyl]amino]-2-oxo-azetidine-1-sulfonic acid CAS Name: 3-[[2-(2,3-dihydro-1,4-oxathiin-6-yl)-1-oxoethyl]amino]-2-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[[2-(2,3-dihydro-1,4-oxathiin-6-yl)acetyl]amino]-2-oxoazetidine-1-sulfonic acid Traditional Name: 3-[[2-(2,3-dihydro-1,4-oxathiin-6-yl)acetyl]amino]-2-keto-azetidine-1-sulfonic acid Formula: C9H12N2O6S2 MolecularWeight: 308.33138

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC=C(O1)CC(=O)NC2CN(C2=O)S(=O)(=O)O

Isomeric SMILES

C1CSC=C(O1)CC(=O)NC2CN(C2=O)S(=O)(=O)O

InChI

InChI=1S/C9H12N2O6S2/c12-8(3-6-5-18-2-1-17-6)10-7-4-11(9(7)13)19(14,15)16/h5,7H,1-4H2,(H,10,12)(H,14,15,16)