6-iodanyl-3,3-dimethyl-7-oxidanylidene-6-[oxidanyl(pyridin-3-yl)methyl]-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile

Systemtic Name: 6-iodanyl-3,3-dimethyl-7-oxidanylidene-6-[oxidanyl(pyridin-3-yl)methyl]-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile Openeye Name: 6-[hydroxy(3-pyridyl)methyl]-6-iodo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile CAS Name: 6-[hydroxy(3-pyridinyl)methyl]-6-iodo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile IUPAC Name: 6-[hydroxy(pyridin-3-yl)methyl]-6-iodo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile Traditional Name: 6-[hydroxy(3-pyridyl)methyl]-6-iodo-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile Formula: C14H14IN3O2S MolecularWeight: 415.24933

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)(C(C3=CN=CC=C3)O)I)C#N)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(C(C3=CN=CC=C3)O)I)C#N)C

InChI

InChI=1S/C14H14IN3O2S/c1-13(2)9(6-16)18-11(20)14(15,12(18)21-13)10(19)8-4-3-5-17-7-8/h3-5,7,9-10,12,19H,1-2H3