(2-bromanyl-4,5-diethoxy-phenyl)methyl 2-[(2R)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanoate

Systemtic Name: (2-bromanyl-4,5-diethoxy-phenyl)methyl 2-[(2R)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanoate Openeye Name: (2-bromo-4,5-diethoxy-phenyl)methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate CAS Name: 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetic acid (2-bromo-4,5-diethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-diethoxyphenyl)methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate Traditional Name: 2-[(2R)-3-keto-4H-1,4-benzothiazin-2-yl]acetic acid (2-bromo-4,5-diethoxy-benzyl) ester Formula: C21H22BrNO5S MolecularWeight: 480.37208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrNO5S/c1-3-26-16-9-13(14(22)10-17(16)27-4-2)12-28-20(24)11-19-21(25)23-15-7-5-6-8-18(15)29-19/h5-10,19H,3-4,11-12H2,1-2H3,(H,23,25)/t19-/m1/s1