7-azanyl-3-[ethanoylsulfanyl(methoxy)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-3-[ethanoylsulfanyl(methoxy)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[acetylsulfanyl(methoxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[(acetylthio)-methoxymethyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[acetylsulfanyl(methoxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[(acetylthio)-methoxy-methyl]-7-amino-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C11H14N2O5S2 MolecularWeight: 318.36926

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(C1=C(N2C(C(C2=O)N)SC1)C(=O)O)OC

Isomeric SMILES

CC(=O)SC(C1=C(N2C(C(C2=O)N)SC1)C(=O)O)OC

InChI

InChI=1S/C11H14N2O5S2/c1-4(14)20-11(18-2)5-3-19-9-6(12)8(15)13(9)7(5)10(16)17/h6,9,11H,3,12H2,1-2H3,(H,16,17)