3-[(2-methyl-1,3-oxazol-5-yl)sulfanylmethyl]-7-oxidanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[(2-methyl-1,3-oxazol-5-yl)sulfanylmethyl]-7-oxidanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-hydroxy-3-[(2-methyloxazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-hydroxy-3-[[(2-methyl-5-oxazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-hydroxy-3-[(2-methyl-1,3-oxazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-hydroxy-8-keto-3-[[(2-methyloxazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H12N2O5S2 MolecularWeight: 328.36408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(O1)SCC2=C(N3C(C(C3=O)O)SC2)C(=O)O

Isomeric SMILES

CC1=NC=C(O1)SCC2=C(N3C(C(C3=O)O)SC2)C(=O)O

InChI

InChI=1S/C12H12N2O5S2/c1-5-13-2-7(19-5)20-3-6-4-21-11-9(15)10(16)14(11)8(6)12(17)18/h2,9,11,15H,3-4H2,1H3,(H,17,18)