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

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: (5-acetyl-2-methoxy-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-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)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-methoxy-benzyl) ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5S/c1-14(23)15-7-8-18(26-2)16(11-15)12-27-21(25)9-10-22-17-5-3-4-6-19(17)28-13-20(22)24/h3-8,11H,9-10,12-13H2,1-2H3