6-(1-acetyloxyethyl)-3-ethylsulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-(1-acetyloxyethyl)-3-ethylsulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-acetoxyethyl)-3-ethylsulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-acetyloxyethyl)-3-(ethylthio)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-acetyloxyethyl)-3-ethylsulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-acetoxyethyl)-3-(ethylthio)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(N2C(C1)C(C2=O)C(C)OC(=O)C)C(=O)O

Isomeric SMILES

CCSC1=C(N2C(C1)C(C2=O)C(C)OC(=O)C)C(=O)O

InChI

InChI=1S/C13H17NO5S/c1-4-20-9-5-8-10(6(2)19-7(3)15)12(16)14(8)11(9)13(17)18/h6,8,10H,4-5H2,1-3H3,(H,17,18)