tert-butyl (2S,3S,4R)-2-methyl-4-oxidanyl-4-phenyl-2,3-dihydrothiochromene-3-carboxylate

Systemtic Name: tert-butyl (2S,3S,4R)-2-methyl-4-oxidanyl-4-phenyl-2,3-dihydrothiochromene-3-carboxylate Openeye Name: tert-butyl (2S,3S,4R)-4-hydroxy-2-methyl-4-phenyl-thiochromane-3-carboxylate CAS Name: (2S,3S,4R)-4-hydroxy-2-methyl-4-phenyl-2,3-dihydro-1-benzothiopyran-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3S,4R)-4-hydroxy-2-methyl-4-phenyl-2,3-dihydrothiochromene-3-carboxylate Traditional Name: (2S,3S,4R)-4-hydroxy-2-methyl-4-phenyl-thiochroman-3-carboxylic acid tert-butyl ester Formula: C21H24O3S MolecularWeight: 356.47846

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C2=CC=CC=C2S1)(C3=CC=CC=C3)O)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@H]1[C@@H]([C@](C2=CC=CC=C2S1)(C3=CC=CC=C3)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H24O3S/c1-14-18(19(22)24-20(2,3)4)21(23,15-10-6-5-7-11-15)16-12-8-9-13-17(16)25-14/h5-14,18,23H,1-4H3/t14-,18+,21+/m0/s1