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

Systemtic Name: 7-azanyl-3-[(4-carboxy-3-oxidanylidene-1,2-thiazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-[(4-carboxy-3-oxo-isothiazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-[[(4-carboxy-3-oxo-5-isothiazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-[(4-carboxy-3-oxo-1,2-thiazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-3-[[(4-carboxy-3-keto-4-isothiazolin-5-yl)thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H11N3O6S3 MolecularWeight: 389.42724

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)CSC3=C(C(=O)NS3)C(=O)O

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)CSC3=C(C(=O)NS3)C(=O)O

InChI

InChI=1S/C12H11N3O6S3/c13-5-8(17)15-6(11(20)21)3(1-22-9(5)15)2-23-12-4(10(18)19)7(16)14-24-12/h5,9H,1-2,13H2,(H,14,16)(H,18,19)(H,20,21)