(4-bromophenyl)methyl 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: (4-bromophenyl)methyl 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: (4-bromophenyl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 3-oxo-4H-1,4-benzothiazine-6-carboxylic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-4H-1,4-benzothiazine-6-carboxylic acid (4-bromobenzyl) ester Formula: C16H12BrNO3S MolecularWeight: 378.24038

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OCC3=CC=C(C=C3)Br

Isomeric SMILES

C1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OCC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H12BrNO3S/c17-12-4-1-10(2-5-12)8-21-16(20)11-3-6-14-13(7-11)18-15(19)9-22-14/h1-7H,8-9H2,(H,18,19)