6-(hydroxymethyl)-6-methyl-7-oxidanylidene-3-sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-(hydroxymethyl)-6-methyl-7-oxidanylidene-3-sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(hydroxymethyl)-6-methyl-7-oxo-3-sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(hydroxymethyl)-3-mercapto-6-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(hydroxymethyl)-6-methyl-7-oxo-3-sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 7-keto-3-mercapto-6-methyl-6-methylol-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C9H11NO4S MolecularWeight: 229.25294

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CC(=C(N2C1=O)C(=O)O)S)CO

Isomeric SMILES

CC1(C2CC(=C(N2C1=O)C(=O)O)S)CO

InChI

InChI=1S/C9H11NO4S/c1-9(3-11)5-2-4(15)6(7(12)13)10(5)8(9)14/h5,11,15H,2-3H2,1H3,(H,12,13)