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

Systemtic Name: (3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: (3-acetyl-2,4,6-trimethyl-phenyl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 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 3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-4H-1,4-benzothiazine-6-carboxylic acid (3-acetyl-2,4,6-trimethyl-benzyl) ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)C2=CC3=C(C=C2)SCC(=O)N3)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)C2=CC3=C(C=C2)SCC(=O)N3)C

InChI

InChI=1S/C21H21NO4S/c1-11-7-12(2)20(14(4)23)13(3)16(11)9-26-21(25)15-5-6-18-17(8-15)22-19(24)10-27-18/h5-8H,9-10H2,1-4H3,(H,22,24)