(5-ethanoyl-2-ethoxy-phenyl)methyl 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)propanoic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)propionic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)CCN2C(=O)CSC3=CC=CC=C32

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)CCN2C(=O)CSC3=CC=CC=C32

InChI

InChI=1S/C22H23NO5S/c1-3-27-19-9-8-16(15(2)24)12-17(19)13-28-22(26)10-11-23-18-6-4-5-7-20(18)29-14-21(23)25/h4-9,12H,3,10-11,13-14H2,1-2H3