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

Systemtic Name: 7-[[2-(2-azanyl-1,3-thiazol-4-yl)-2-oxidanyl-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-(2-aminothiazol-4-yl)-2-hydroxy-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-(2-amino-4-thiazolyl)-2-hydroxy-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-(2-aminothiazol-4-yl)-2-hydroxy-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H12N4O5S2 MolecularWeight: 356.37748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)C(C2=O)NC(=O)C(C3=CSC(=N3)N)O)C(=O)O

Isomeric SMILES

C1C=C(N2C(S1)C(C2=O)NC(=O)C(C3=CSC(=N3)N)O)C(=O)O

InChI

InChI=1S/C12H12N4O5S2/c13-12-14-4(3-23-12)7(17)8(18)15-6-9(19)16-5(11(20)21)1-2-22-10(6)16/h1,3,6-7,10,17H,2H2,(H2,13,14)(H,15,18)(H,20,21)