ethyl 1-methyl-3-phenyl-4H-1,4-benzothiazin-1-ium-2-carboxylate

Systemtic Name: ethyl 1-methyl-3-phenyl-4H-1,4-benzothiazin-1-ium-2-carboxylate Openeye Name: ethyl 1-methyl-3-phenyl-4H-1,4-benzothiazin-1-ium-2-carboxylate CAS Name: 1-methyl-3-phenyl-4H-1,4-benzothiazin-1-ium-2-carboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-3-phenyl-4H-1,4-benzothiazin-1-ium-2-carboxylate Traditional Name: 1-methyl-3-phenyl-4H-1,4-benzothiazin-1-ium-2-carboxylic acid ethyl ester Formula: C18H18NO2S+ MolecularWeight: 312.40602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2[S+]1C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2[S+]1C)C3=CC=CC=C3

InChI

InChI=1S/C18H17NO2S/c1-3-21-18(20)17-16(13-9-5-4-6-10-13)19-14-11-7-8-12-15(14)22(17)2/h4-12H,3H2,1-2H3/p+1