(2-carboxy-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptan-6-ylidene)-(phenylmethylidene)azanium

Systemtic Name: (2-carboxy-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptan-6-ylidene)-(phenylmethylidene)azanium Openeye Name: benzylidene-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-ylidene)ammonium CAS Name: (2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-ylidene)-(phenylmethylene)ammonium IUPAC Name: benzylidene-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-ylidene)azanium Traditional Name: benzal-(2-carboxy-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-6-ylidene)ammonium Formula: C15H15N2O3S+ MolecularWeight: 303.3562

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(=[N+]=CC3=CC=CC=C3)C2=O)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(=[N+]=CC3=CC=CC=C3)C2=O)C(=O)O)C

InChI

InChI=1S/C15H14N2O3S/c1-15(2)11(14(19)20)17-12(18)10(13(17)21-15)16-8-9-6-4-3-5-7-9/h3-8,11,13H,1-2H3/p+1