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

Systemtic Name: 6-bromanyl-3,3-dimethyl-6-[(1-methylpyrrol-2-yl)-oxidanyl-methyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile Openeye Name: 6-bromo-6-[hydroxy-(1-methylpyrrol-2-yl)methyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile CAS Name: 6-bromo-6-[hydroxy-(1-methyl-2-pyrrolyl)methyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile IUPAC Name: 6-bromo-6-[hydroxy-(1-methylpyrrol-2-yl)methyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile Traditional Name: 6-bromo-6-[hydroxy-(1-methylpyrrol-2-yl)methyl]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile Formula: C14H16BrN3O2S MolecularWeight: 370.26474

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)(C(C3=CC=CN3C)O)Br)C#N)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(C(C3=CC=CN3C)O)Br)C#N)C

InChI

InChI=1S/C14H16BrN3O2S/c1-13(2)9(7-16)18-11(20)14(15,12(18)21-13)10(19)8-5-4-6-17(8)3/h4-6,9-10,12,19H,1-3H3