(2-sulfanylidenepyridin-1-yl) (3R,5S,6R)-5-bromanyl-2,2,6-trimethyl-6-phenyl-oxane-3-carboxylate

Systemtic Name: (2-sulfanylidenepyridin-1-yl) (3R,5S,6R)-5-bromanyl-2,2,6-trimethyl-6-phenyl-oxane-3-carboxylate Openeye Name: (2-thioxo-1-pyridyl) (3R,5S,6R)-5-bromo-2,2,6-trimethyl-6-phenyl-tetrahydropyran-3-carboxylate CAS Name: (3R,5S,6R)-5-bromo-2,2,6-trimethyl-6-phenyl-3-oxanecarboxylic acid (2-sulfanylidene-1-pyridinyl) ester IUPAC Name: (2-sulfanylidenepyridin-1-yl) (3R,5S,6R)-5-bromo-2,2,6-trimethyl-6-phenyloxane-3-carboxylate Traditional Name: (3R,5S,6R)-5-bromo-2,2,6-trimethyl-6-phenyl-tetrahydropyran-3-carboxylic acid (2-thioxo-1-pyridyl) ester Formula: C20H22BrNO3S MolecularWeight: 436.36258

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC(C(O1)(C)C2=CC=CC=C2)Br)C(=O)ON3C=CC=CC3=S)C

Isomeric SMILES

C[C@]1([C@H](C[C@H](C(O1)(C)C)C(=O)ON2C=CC=CC2=S)Br)C3=CC=CC=C3

InChI

InChI=1S/C20H22BrNO3S/c1-19(2)15(18(23)24-22-12-8-7-11-17(22)26)13-16(21)20(3,25-19)14-9-5-4-6-10-14/h4-12,15-16H,13H2,1-3H3/t15-,16-,20+/m0/s1