dimethyl 1-(4-bromophenyl)-1-oxidanyl-3-phenyl-pyrrolo[2,1-c][1,4]thiazine-7,8-dicarboxylate

Systemtic Name: dimethyl 1-(4-bromophenyl)-1-oxidanyl-3-phenyl-pyrrolo[2,1-c][1,4]thiazine-7,8-dicarboxylate Openeye Name: dimethyl 1-(4-bromophenyl)-1-hydroxy-3-phenyl-pyrrolo[2,1-c][1,4]thiazine-7,8-dicarboxylate CAS Name: 1-(4-bromophenyl)-1-hydroxy-3-phenylpyrrolo[2,1-c][1,4]thiazine-7,8-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(4-bromophenyl)-1-hydroxy-3-phenylpyrrolo[2,1-c][1,4]thiazine-7,8-dicarboxylate Traditional Name: 1-(4-bromophenyl)-1-hydroxy-3-phenyl-pyrrolo[2,1-c][1,4]thiazine-7,8-dicarboxylic acid dimethyl ester Formula: C23H18BrNO5S MolecularWeight: 500.36172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN2C=C(SC(C2=C1C(=O)OC)(C3=CC=C(C=C3)Br)O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CN2C=C(SC(C2=C1C(=O)OC)(C3=CC=C(C=C3)Br)O)C4=CC=CC=C4

InChI

InChI=1S/C23H18BrNO5S/c1-29-21(26)17-12-25-13-18(14-6-4-3-5-7-14)31-23(28,15-8-10-16(24)11-9-15)20(25)19(17)22(27)30-2/h3-13,28H,1-2H3