7-oxidanylidene-3-(2-oxidanylidenepropylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 7-oxidanylidene-3-(2-oxidanylidenepropylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-acetonylsulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 7-oxo-3-(2-oxopropylthio)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 7-oxo-3-(2-oxopropylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(acetonylthio)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C9H9NO4S2 MolecularWeight: 259.30206

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=C(N2C(S1)CC2=O)C(=O)O

Isomeric SMILES

CC(=O)CSC1=C(N2C(S1)CC2=O)C(=O)O

InChI

InChI=1S/C9H9NO4S2/c1-4(11)3-15-9-7(8(13)14)10-5(12)2-6(10)16-9/h6H,2-3H2,1H3,(H,13,14)