3-[(1E,3E)-4-cyanobuta-1,3-dienyl]-3-methyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: 3-[(1E,3E)-4-cyanobuta-1,3-dienyl]-3-methyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: 3-[(1E,3E)-4-cyanobuta-1,3-dienyl]-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3-[(1E,3E)-4-cyanobuta-1,3-dienyl]-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: 3-[(1E,3E)-4-cyanobuta-1,3-dienyl]-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 3-[(1E,3E)-4-cyanobuta-1,3-dienyl]-7-keto-3-methyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C12H11N2O3S- MolecularWeight: 263.29234

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)CC2=O)C(=O)[O-])C=CC=CC#N

Isomeric SMILES

CC1(C(N2C(S1)CC2=O)C(=O)[O-])/C=C/C=C/C#N

InChI

InChI=1S/C12H12N2O3S/c1-12(5-3-2-4-6-13)10(11(16)17)14-8(15)7-9(14)18-12/h2-5,9-10H,7H2,1H3,(H,16,17)/p-1/b4-2+,5-3+