6-(1-hydroxyethyl)-7-oxidanylidene-3-propan-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-(1-hydroxyethyl)-7-oxidanylidene-3-propan-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-hydroxyethyl)-3-isopropylsulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-7-oxo-3-(propan-2-ylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-hydroxyethyl)-7-oxo-3-propan-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-hydroxyethyl)-3-(isopropylthio)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(N2C(C1)C(C2=O)C(C)O)C(=O)O

Isomeric SMILES

CC(C)SC1=C(N2C(C1)C(C2=O)C(C)O)C(=O)O

InChI

InChI=1S/C12H17NO4S/c1-5(2)18-8-4-7-9(6(3)14)11(15)13(7)10(8)12(16)17/h5-7,9,14H,4H2,1-3H3,(H,16,17)