[(2R,3R,4R,5S)-3-acetyloxy-5-bromanyl-2-thiophen-2-yl-thian-4-yl] ethanoate

Systemtic Name: [(2R,3R,4R,5S)-3-acetyloxy-5-bromanyl-2-thiophen-2-yl-thian-4-yl] ethanoate Openeye Name: [(2R,3R,4R,5S)-3-acetoxy-5-bromo-2-(2-thienyl)tetrahydrothiopyran-4-yl] acetate CAS Name: acetic acid [(2R,3R,4R,5S)-3-acetyloxy-5-bromo-2-thiophen-2-yl-4-thianyl] ester IUPAC Name: [(2R,3R,4R,5S)-3-acetyloxy-5-bromo-2-thiophen-2-ylthian-4-yl] acetate Traditional Name: acetic acid [(2R,3R,4R,5S)-3-acetoxy-5-bromo-2-(2-thienyl)tetrahydrothiopyran-4-yl] ester Formula: C13H15BrO4S2 MolecularWeight: 379.2898

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(CSC(C1OC(=O)C)C2=CC=CS2)Br

Isomeric SMILES

CC(=O)O[C@H]1[C@@H](CS[C@H]([C@@H]1OC(=O)C)C2=CC=CS2)Br

InChI

InChI=1S/C13H15BrO4S2/c1-7(15)17-11-9(14)6-20-13(10-4-3-5-19-10)12(11)18-8(2)16/h3-5,9,11-13H,6H2,1-2H3/t9-,11+,12-,13+/m1/s1