(7-azanyl-7-methylsulfanyl-8-oxidanylidene-2-phosphonato-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl ethanoate

Systemtic Name: (7-azanyl-7-methylsulfanyl-8-oxidanylidene-2-phosphonato-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl ethanoate Openeye Name: (7-amino-7-methylsulfanyl-8-oxo-2-phosphonato-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl acetate CAS Name: acetic acid [7-amino-7-(methylthio)-8-oxo-2-phosphonato-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl ester IUPAC Name: (7-amino-7-methylsulfanyl-8-oxo-2-phosphonato-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl acetate Traditional Name: acetic acid [7-amino-8-keto-7-(methylthio)-2-phosphonato-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl ester Formula: C10H13N2O6PS2-2 MolecularWeight: 352.323781

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)(N)SC)SC1)P(=O)([O-])[O-]

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)(N)SC)SC1)P(=O)([O-])[O-]

InChI

InChI=1S/C10H15N2O6PS2/c1-5(13)18-3-6-4-21-9-10(11,20-2)8(14)12(9)7(6)19(15,16)17/h9H,3-4,11H2,1-2H3,(H2,15,16,17)/p-2