(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)CC2C(=O)NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)CC2C(=O)NC3=CC=CC=C3S2)C

InChI

InChI=1S/C22H23NO4S/c1-12-9-13(2)21(15(4)24)14(3)16(12)11-27-20(25)10-19-22(26)23-17-7-5-6-8-18(17)28-19/h5-9,19H,10-11H2,1-4H3,(H,23,26)