phenyl 3-phenyl-2H-1,3-benzothiazin-3-ium-8-carboxylate

Systemtic Name: phenyl 3-phenyl-2H-1,3-benzothiazin-3-ium-8-carboxylate Openeye Name: phenyl 3-phenyl-2H-1,3-benzothiazin-3-ium-8-carboxylate CAS Name: 3-phenyl-2H-1,3-benzothiazin-3-ium-8-carboxylic acid phenyl ester IUPAC Name: phenyl 3-phenyl-2H-1,3-benzothiazin-3-ium-8-carboxylate Traditional Name: 3-phenyl-2H-1,3-benzothiazin-3-ium-8-carboxylic acid phenyl ester Formula: C21H16NO2S+ MolecularWeight: 346.42224

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Descriptors Computed from Structure

Canonical SMILES:

C1[N+](=CC2=C(S1)C(=CC=C2)C(=O)OC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1[N+](=CC2=C(S1)C(=CC=C2)C(=O)OC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H16NO2S/c23-21(24-18-11-5-2-6-12-18)19-13-7-8-16-14-22(15-25-20(16)19)17-9-3-1-4-10-17/h1-14H,15H2/q+1