3-[(E)-3-azanylprop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one

Systemtic Name: 3-[(E)-3-azanylprop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one Openeye Name: 3-[(E)-3-aminoprop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one CAS Name: 3-[(E)-3-aminoprop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one IUPAC Name: 3-[(E)-3-aminoprop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one Traditional Name: 3-[(E)-3-aminoprop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one Formula: C9H12N2OS MolecularWeight: 196.26938

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C=C(CS2)C=CCN

Isomeric SMILES

C1C2N(C1=O)C=C(CS2)/C=C/CN

InChI

InChI=1S/C9H12N2OS/c10-3-1-2-7-5-11-8(12)4-9(11)13-6-7/h1-2,5,9H,3-4,6,10H2/b2-1+