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

Systemtic Name: 7-azanyl-8-oxidanylidene-3-[(2-oxidanylidenepyran-4-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-8-oxo-3-[(2-oxopyran-4-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-8-oxo-3-[[(2-oxo-4-pyranyl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-8-oxo-3-[(2-oxopyran-4-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-8-keto-3-[[(2-ketopyran-4-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H12N2O5S2 MolecularWeight: 340.37478

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)CSC3=CC(=O)OC=C3

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)CSC3=CC(=O)OC=C3

InChI

InChI=1S/C13H12N2O5S2/c14-9-11(17)15-10(13(18)19)6(5-22-12(9)15)4-21-7-1-2-20-8(16)3-7/h1-3,9,12H,4-5,14H2,(H,18,19)