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

Systemtic Name: ethyl (2S,3R,4S)-3-methanoyl-4-methyl-4-oxidanyl-2,3-dihydrothiochromene-2-carboxylate Openeye Name: ethyl (2S,3R,4S)-3-formyl-4-hydroxy-4-methyl-thiochromane-2-carboxylate CAS Name: (2S,3R,4S)-3-formyl-4-hydroxy-4-methyl-2,3-dihydro-1-benzothiopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl (2S,3R,4S)-3-formyl-4-hydroxy-4-methyl-2,3-dihydrothiochromene-2-carboxylate Traditional Name: (2S,3R,4S)-3-formyl-4-hydroxy-4-methyl-thiochroman-2-carboxylic acid ethyl ester Formula: C14H16O4S MolecularWeight: 280.33944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(C2=CC=CC=C2S1)(C)O)C=O

Isomeric SMILES

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

InChI

InChI=1S/C14H16O4S/c1-3-18-13(16)12-10(8-15)14(2,17)9-6-4-5-7-11(9)19-12/h4-8,10,12,17H,3H2,1-2H3/t10-,12+,14-/m1/s1