diethyl 2-(2-bromophenyl)-4-oxidanyl-2,4-dihydrothiochromene-3,3-dicarboxylate

Systemtic Name: diethyl 2-(2-bromophenyl)-4-oxidanyl-2,4-dihydrothiochromene-3,3-dicarboxylate Openeye Name: diethyl 2-(2-bromophenyl)-4-hydroxy-thiochromane-3,3-dicarboxylate CAS Name: 2-(2-bromophenyl)-4-hydroxy-2,4-dihydro-1-benzothiopyran-3,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(2-bromophenyl)-4-hydroxy-2,4-dihydrothiochromene-3,3-dicarboxylate Traditional Name: 2-(2-bromophenyl)-4-hydroxy-thiochroman-3,3-dicarboxylic acid diethyl ester Formula: C21H21BrO5S MolecularWeight: 465.35744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(C2=CC=CC=C2SC1C3=CC=CC=C3Br)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(C(C2=CC=CC=C2SC1C3=CC=CC=C3Br)O)C(=O)OCC

InChI

InChI=1S/C21H21BrO5S/c1-3-26-19(24)21(20(25)27-4-2)17(23)14-10-6-8-12-16(14)28-18(21)13-9-5-7-11-15(13)22/h5-12,17-18,23H,3-4H2,1-2H3