6-butyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carbothioic S-acid

Systemtic Name: 6-butyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carbothioic S-acid Openeye Name: 6-butyl-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbothioic S-acid CAS Name: 6-butyl-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbothioic S-acid IUPAC Name: 6-butyl-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbothioic S-acid Traditional Name: 6-butyl-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carbothioic S-acid Formula: C12H19NO2S2 MolecularWeight: 273.41476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2N(C1=O)C(C(S2)(C)C)C(=O)S

Isomeric SMILES

CCCCC1C2N(C1=O)C(C(S2)(C)C)C(=O)S

InChI

InChI=1S/C12H19NO2S2/c1-4-5-6-7-9(14)13-8(11(15)16)12(2,3)17-10(7)13/h7-8,10H,4-6H2,1-3H3,(H,15,16)