2-[[6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]thio]acetonitrile IUPAC Name: 2-[[6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[6-(1-hydroxyethyl)-7-keto-1-azabicyclo[3.2.0]hept-2-en-3-yl]thio]acetonitrile Formula: C10H12N2O2S MolecularWeight: 224.27948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(=CN2C1=O)SCC#N)O

Isomeric SMILES

CC(C1C2CC(=CN2C1=O)SCC#N)O

InChI

InChI=1S/C10H12N2O2S/c1-6(13)9-8-4-7(15-3-2-11)5-12(8)10(9)14/h5-6,8-9,13H,3-4H2,1H3