2-[1-[1,1-bis(oxidanylidene)thiolan-3-yl]imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-[1,1-bis(oxidanylidene)thiolan-3-yl]imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-(1,1-dioxothiolan-3-yl)imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-(1,1-dioxo-3-thiolanyl)-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-(1,1-dioxothiolan-3-yl)imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(1,1-diketothiolan-3-yl)imidazol-2-yl]thio]acetic acid Formula: C9H12N2O4S2 MolecularWeight: 276.33258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2C=CN=C2SCC(=O)O

Isomeric SMILES

C1CS(=O)(=O)CC1N2C=CN=C2SCC(=O)O

InChI

InChI=1S/C9H12N2O4S2/c12-8(13)5-16-9-10-2-3-11(9)7-1-4-17(14,15)6-7/h2-3,7H,1,4-6H2,(H,12,13)