6-(hydroxymethyl)-5-methyl-7-oxidanylidene-3-sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-(hydroxymethyl)-5-methyl-7-oxidanylidene-3-sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(hydroxymethyl)-5-methyl-7-oxo-3-sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(hydroxymethyl)-3-mercapto-5-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(hydroxymethyl)-5-methyl-7-oxo-3-sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 7-keto-3-mercapto-5-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:

CC12CC(=C(N1C(=O)C2CO)C(=O)O)S

Isomeric SMILES

CC12CC(=C(N1C(=O)C2CO)C(=O)O)S

InChI

InChI=1S/C9H11NO4S/c1-9-2-5(15)6(8(13)14)10(9)7(12)4(9)3-11/h4,11,15H,2-3H2,1H3,(H,13,14)