7-[(E)-3-(dimethylazaniumyl)prop-1-enyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-[(E)-3-(dimethylazaniumyl)prop-1-enyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-[(E)-3-(dimethylammonio)prop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[(E)-3-(dimethylammonio)prop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[(E)-3-(dimethylazaniumyl)prop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[(E)-3-(dimethylammonio)prop-1-enyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC=CC1C2N(C1=O)C(=CCS2)C(=O)[O-]

Isomeric SMILES

C[NH+](C)C/C=C/C1C2N(C1=O)C(=CCS2)C(=O)[O-]

InChI

InChI=1S/C12H16N2O3S/c1-13(2)6-3-4-8-10(15)14-9(12(16)17)5-7-18-11(8)14/h3-5,8,11H,6-7H2,1-2H3,(H,16,17)/b4-3+