(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 3-oxo-4H-1,4-benzothiazine-6-carboxylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-4H-1,4-benzothiazine-6-carboxylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C18H14BrNO5S MolecularWeight: 436.27646

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)C3=CC4=C(C=C3)SCC(=O)N4

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)C3=CC4=C(C=C3)SCC(=O)N4

InChI

InChI=1S/C18H14BrNO5S/c19-12-7-15-14(23-3-4-24-15)6-11(12)8-25-18(22)10-1-2-16-13(5-10)20-17(21)9-26-16/h1-2,5-7H,3-4,8-9H2,(H,20,21)