7-isocyano-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-isocyano-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-isocyano-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-isocyano-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-isocyano-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-isocyano-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C9H8N2O3S MolecularWeight: 224.23642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)[N+]#[C-])SC1)C(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)[N+]#[C-])SC1)C(=O)O

InChI

InChI=1S/C9H8N2O3S/c1-4-3-15-8-5(10-2)7(12)11(8)6(4)9(13)14/h5,8H,3H2,1H3,(H,13,14)