(5-ethanoyl-2-ethoxy-phenyl)methyl 2-[(2S)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanoate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 2-[(2S)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-4H-1,4-benzothiazin-2-yl]acetic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)CC2C(=O)NC3=CC=CC=C3S2

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C[C@H]2C(=O)NC3=CC=CC=C3S2

InChI

InChI=1S/C21H21NO5S/c1-3-26-17-9-8-14(13(2)23)10-15(17)12-27-20(24)11-19-21(25)22-16-6-4-5-7-18(16)28-19/h4-10,19H,3,11-12H2,1-2H3,(H,22,25)/t19-/m0/s1