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

Systemtic Name: ethyl (2R,3S,4S)-4-methyl-4-oxidanyl-2-phenyl-2,3-dihydrothiochromene-3-carboxylate Openeye Name: ethyl (2R,3S,4S)-4-hydroxy-4-methyl-2-phenyl-thiochromane-3-carboxylate CAS Name: (2R,3S,4S)-4-hydroxy-4-methyl-2-phenyl-2,3-dihydro-1-benzothiopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (2R,3S,4S)-4-hydroxy-4-methyl-2-phenyl-2,3-dihydrothiochromene-3-carboxylate Traditional Name: (2R,3S,4S)-4-hydroxy-4-methyl-2-phenyl-thiochroman-3-carboxylic acid ethyl ester Formula: C19H20O3S MolecularWeight: 328.4253

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(SC2=CC=CC=C2C1(C)O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](SC2=CC=CC=C2[C@@]1(C)O)C3=CC=CC=C3

InChI

InChI=1S/C19H20O3S/c1-3-22-18(20)16-17(13-9-5-4-6-10-13)23-15-12-8-7-11-14(15)19(16,2)21/h4-12,16-17,21H,3H2,1-2H3/t16-,17+,19-/m1/s1