(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 2-methyl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: (3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 2-methyl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: (3-acetyl-2,4,6-trimethyl-phenyl)methyl 2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid (3-acetyl-2,4,6-trimethylphenyl)methyl ester IUPAC Name: (3-acetyl-2,4,6-trimethylphenyl)methyl 2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-2-methyl-4H-1,4-benzothiazine-6-carboxylic acid (3-acetyl-2,4,6-trimethyl-benzyl) ester Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OCC3=C(C=C(C(=C3C)C(=O)C)C)C

Isomeric SMILES

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OCC3=C(C=C(C(=C3C)C(=O)C)C)C

InChI

InChI=1S/C22H23NO4S/c1-11-8-12(2)20(14(4)24)13(3)17(11)10-27-22(26)16-6-7-19-18(9-16)23-21(25)15(5)28-19/h6-9,15H,10H2,1-5H3,(H,23,25)