(2S,3R,4S)-2-(4-bromophenyl)-4-methyl-4-oxidanyl-2,3-dihydrothiochromene-3-carbaldehyde

Systemtic Name: (2S,3R,4S)-2-(4-bromophenyl)-4-methyl-4-oxidanyl-2,3-dihydrothiochromene-3-carbaldehyde Openeye Name: (2S,3R,4S)-2-(4-bromophenyl)-4-hydroxy-4-methyl-thiochromane-3-carbaldehyde CAS Name: (2S,3R,4S)-2-(4-bromophenyl)-4-hydroxy-4-methyl-2,3-dihydro-1-benzothiopyran-3-carboxaldehyde IUPAC Name: (2S,3R,4S)-2-(4-bromophenyl)-4-hydroxy-4-methyl-2,3-dihydrothiochromene-3-carbaldehyde Traditional Name: (2S,3R,4S)-2-(4-bromophenyl)-4-hydroxy-4-methyl-thiochroman-3-carbaldehyde Formula: C17H15BrO2S MolecularWeight: 363.2688

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(SC2=CC=CC=C21)C3=CC=C(C=C3)Br)C=O)O

Isomeric SMILES

C[C@@]1([C@@H]([C@H](SC2=CC=CC=C21)C3=CC=C(C=C3)Br)C=O)O

InChI

InChI=1S/C17H15BrO2S/c1-17(20)13-4-2-3-5-15(13)21-16(14(17)10-19)11-6-8-12(18)9-7-11/h2-10,14,16,20H,1H3/t14-,16-,17-/m1/s1