methyl 4-methyl-7-thia-4-azoniabicyclo[4.1.0]hepta-1(6),2,4-triene-5-carboxylate

Systemtic Name: methyl 4-methyl-7-thia-4-azoniabicyclo[4.1.0]hepta-1(6),2,4-triene-5-carboxylate Openeye Name: methyl 4-methyl-7-thia-4-azoniabicyclo[4.1.0]hepta-1(6),2,4-triene-5-carboxylate CAS Name: 4-methyl-7-thia-4-azoniabicyclo[4.1.0]hepta-1(6),2,4-triene-5-carboxylic acid methyl ester IUPAC Name: methyl 4-methyl-7-thia-4-azoniabicyclo[4.1.0]hepta-1(6),2,4-triene-5-carboxylate Traditional Name: 4-methyl-7-thia-4-azoniabicyclo[4.1.0]hepta-1(6),2,4-triene-5-carboxylic acid methyl ester Formula: C8H8NO2S+ MolecularWeight: 182.21962

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=C(S2)C=C1)C(=O)OC

Isomeric SMILES

C[N+]1=C(C2=C(S2)C=C1)C(=O)OC

InChI

InChI=1S/C8H8NO2S/c1-9-4-3-5-7(12-5)6(9)8(10)11-2/h3-4H,1-2H3/q+1