6-(1-hydroxyethyl)-7-oxidanylidene-3-(2-oxidanylidenepropylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-(1-hydroxyethyl)-7-oxidanylidene-3-(2-oxidanylidenepropylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-acetonylsulfanyl-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-7-oxo-3-(2-oxopropylthio)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-hydroxyethyl)-7-oxo-3-(2-oxopropylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(acetonylthio)-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C11H13NO5S2 MolecularWeight: 303.35462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)SCC(=O)C)C(=O)O)O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)SCC(=O)C)C(=O)O)O

InChI

InChI=1S/C11H13NO5S2/c1-4(13)3-18-11-7(10(16)17)12-8(15)6(5(2)14)9(12)19-11/h5-6,9,14H,3H2,1-2H3,(H,16,17)