dimethyl 4-(4-bromophenyl)-4-oxidanyl-pyrrolo[2,1-c][1,4]benzothiazine-2,3-dicarboxylate

Systemtic Name: dimethyl 4-(4-bromophenyl)-4-oxidanyl-pyrrolo[2,1-c][1,4]benzothiazine-2,3-dicarboxylate Openeye Name: dimethyl 4-(4-bromophenyl)-4-hydroxy-pyrrolo[2,1-c][1,4]benzothiazine-2,3-dicarboxylate CAS Name: 4-(4-bromophenyl)-4-hydroxypyrrolo[2,1-c][1,4]benzothiazine-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(4-bromophenyl)-4-hydroxypyrrolo[2,1-c][1,4]benzothiazine-2,3-dicarboxylate Traditional Name: 4-(4-bromophenyl)-4-hydroxy-pyrrolo[2,1-c][1,4]benzothiazine-2,3-dicarboxylic acid dimethyl ester Formula: C21H16BrNO5S MolecularWeight: 474.32444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN2C3=CC=CC=C3SC(C2=C1C(=O)OC)(C4=CC=C(C=C4)Br)O

Isomeric SMILES

COC(=O)C1=CN2C3=CC=CC=C3SC(C2=C1C(=O)OC)(C4=CC=C(C=C4)Br)O

InChI

InChI=1S/C21H16BrNO5S/c1-27-19(24)14-11-23-15-5-3-4-6-16(15)29-21(26,12-7-9-13(22)10-8-12)18(23)17(14)20(25)28-2/h3-11,26H,1-2H3