3-[(4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-7-oxidanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[(4-methyl-1,3-thiazol-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-[(4-methylthiazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-hydroxy-3-[[(4-methyl-5-thiazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-hydroxy-3-[(4-methyl-1,3-thiazol-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-[[(4-methylthiazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H12N2O4S3 MolecularWeight: 344.42968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)SCC2=C(N3C(C(C3=O)O)SC2)C(=O)O

Isomeric SMILES

CC1=C(SC=N1)SCC2=C(N3C(C(C3=O)O)SC2)C(=O)O

InChI

InChI=1S/C12H12N2O4S3/c1-5-12(21-4-13-5)20-3-6-2-19-10-8(15)9(16)14(10)7(6)11(17)18/h4,8,10,15H,2-3H2,1H3,(H,17,18)