(4R,5S)-4-methyl-7-oxidanylidene-3-sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: (4R,5S)-4-methyl-7-oxidanylidene-3-sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: (4R,5S)-4-methyl-7-oxo-3-sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: (4R,5S)-3-mercapto-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: (4R,5S)-4-methyl-7-oxo-3-sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: (4R,5S)-7-keto-3-mercapto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C8H9NO3S MolecularWeight: 199.22696

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CC(=O)N2C(=C1S)C(=O)O

Isomeric SMILES

C[C@@H]1[C@@H]2CC(=O)N2C(=C1S)C(=O)O

InChI

InChI=1S/C8H9NO3S/c1-3-4-2-5(10)9(4)6(7(3)13)8(11)12/h3-4,13H,2H2,1H3,(H,11,12)/t3-,4+/m1/s1