7-azanyl-3-methyl-7-methylsulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-3-methyl-7-methylsulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-methyl-7-methylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-methyl-7-(methylthio)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-methyl-7-methylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-8-keto-3-methyl-7-(methylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C9H12N2O3S2 MolecularWeight: 260.33318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)(N)SC)SC1)C(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)(N)SC)SC1)C(=O)O

InChI

InChI=1S/C9H12N2O3S2/c1-4-3-16-8-9(10,15-2)7(14)11(8)5(4)6(12)13/h8H,3,10H2,1-2H3,(H,12,13)