6-isothiocyanato-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 6-isothiocyanato-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-isothiocyanato-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-isothiocyanato-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-isothiocyanato-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-isothiocyanato-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C9H10N2O3S2 MolecularWeight: 258.3173

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)N=C=S)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)N=C=S)C(=O)O)C

InChI

InChI=1S/C9H10N2O3S2/c1-9(2)5(8(13)14)11-6(12)4(10-3-15)7(11)16-9/h4-5,7H,1-2H3,(H,13,14)