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

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 2-[(2S)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanoate Openeye Name: (4,5-dimethoxy-2-methyl-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 (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)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 (4,5-dimethoxy-2-methyl-benzyl) ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1COC(=O)CC2C(=O)NC3=CC=CC=C3S2)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1COC(=O)C[C@H]2C(=O)NC3=CC=CC=C3S2)OC)OC

InChI

InChI=1S/C20H21NO5S/c1-12-8-15(24-2)16(25-3)9-13(12)11-26-19(22)10-18-20(23)21-14-6-4-5-7-17(14)27-18/h4-9,18H,10-11H2,1-3H3,(H,21,23)/t18-/m0/s1