S-[(2-carboxyoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-4-yl)methyl] furan-2-carbothioate

Systemtic Name: S-[(2-carboxyoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-4-yl)methyl] furan-2-carbothioate Openeye Name: S-[(2-carboxyoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-4-yl)methyl] furan-2-carbothioate CAS Name: 2-furancarbothioic acid S-[(2-carboxyoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-4-yl)methyl] ester IUPAC Name: S-[(2-carboxyoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-4-yl)methyl] furan-2-carbothioate Traditional Name: furan-2-carbothioic acid S-[(2-carboxyoxy-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-4-yl)methyl] ester Formula: C13H11NO6S2 MolecularWeight: 341.35954

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=CC(S2)CSC(=O)C3=CC=CO3)OC(=O)O

Isomeric SMILES

C1C2N(C1=O)C(=CC(S2)CSC(=O)C3=CC=CO3)OC(=O)O

InChI

InChI=1S/C13H11NO6S2/c15-9-5-11-14(9)10(20-13(17)18)4-7(22-11)6-21-12(16)8-2-1-3-19-8/h1-4,7,11H,5-6H2,(H,17,18)