S-methyl 3-phenyl-2H-1,3-benzothiazin-3-ium-8-carbothioate

Systemtic Name: S-methyl 3-phenyl-2H-1,3-benzothiazin-3-ium-8-carbothioate Openeye Name: S-methyl 3-phenyl-2H-1,3-benzothiazin-3-ium-8-carbothioate CAS Name: 3-phenyl-2H-1,3-benzothiazin-3-ium-8-carbothioic acid S-methyl ester IUPAC Name: S-methyl 3-phenyl-2H-1,3-benzothiazin-3-ium-8-carbothioate Traditional Name: 3-phenyl-2H-1,3-benzothiazin-3-ium-8-carbothioic acid S-methyl ester Formula: C16H14NOS2+ MolecularWeight: 300.41846

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=O)C1=CC=CC2=C1SC[N+](=C2)C3=CC=CC=C3

Isomeric SMILES

CSC(=O)C1=CC=CC2=C1SC[N+](=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H14NOS2/c1-19-16(18)14-9-5-6-12-10-17(11-20-15(12)14)13-7-3-2-4-8-13/h2-10H,11H2,1H3/q+1