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

Systemtic Name: 6-bromanyl-3,3-dimethyl-7-oxidanylidene-6-[oxidanyl(thiophen-2-yl)methyl]-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile Openeye Name: 6-bromo-6-[hydroxy(2-thienyl)methyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile CAS Name: 6-bromo-6-[hydroxy(thiophen-2-yl)methyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile IUPAC Name: 6-bromo-6-[hydroxy(thiophen-2-yl)methyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile Traditional Name: 6-bromo-6-[hydroxy(2-thienyl)methyl]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile Formula: C13H13BrN2O2S2 MolecularWeight: 373.28852

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)(C(C3=CC=CS3)O)Br)C#N)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(C(C3=CC=CS3)O)Br)C#N)C

InChI

InChI=1S/C13H13BrN2O2S2/c1-12(2)8(6-15)16-10(18)13(14,11(16)20-12)9(17)7-4-3-5-19-7/h3-5,8-9,11,17H,1-2H3