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

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)propanoic acid (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)propionic acid (4,5-dimethoxy-2-methyl-benzyl) ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1COC(=O)CCN2C(=O)CSC3=CC=CC=C32)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1COC(=O)CCN2C(=O)CSC3=CC=CC=C32)OC)OC

InChI

InChI=1S/C21H23NO5S/c1-14-10-17(25-2)18(26-3)11-15(14)12-27-21(24)8-9-22-16-6-4-5-7-19(16)28-13-20(22)23/h4-7,10-11H,8-9,12-13H2,1-3H3