ethyl (3S,4S,5S)-5-(4-fluorophenyl)-4-(hydroxymethyl)-3-oxidanyl-thiolane-3-carboxylate

Systemtic Name: ethyl (3S,4S,5S)-5-(4-fluorophenyl)-4-(hydroxymethyl)-3-oxidanyl-thiolane-3-carboxylate Openeye Name: ethyl (3S,4S,5S)-5-(4-fluorophenyl)-3-hydroxy-4-(hydroxymethyl)tetrahydrothiophene-3-carboxylate CAS Name: (3S,4S,5S)-5-(4-fluorophenyl)-3-hydroxy-4-(hydroxymethyl)-3-thiolanecarboxylic acid ethyl ester IUPAC Name: ethyl (3S,4S,5S)-5-(4-fluorophenyl)-3-hydroxy-4-(hydroxymethyl)thiolane-3-carboxylate Traditional Name: (3S,4S,5S)-5-(4-fluorophenyl)-3-hydroxy-4-methylol-tetrahydrothiophene-3-carboxylic acid ethyl ester Formula: C14H17FO4S MolecularWeight: 300.345783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CSC(C1CO)C2=CC=C(C=C2)F)O

Isomeric SMILES

CCOC(=O)[C@@]1(CS[C@@H]([C@H]1CO)C2=CC=C(C=C2)F)O

InChI

InChI=1S/C14H17FO4S/c1-2-19-13(17)14(18)8-20-12(11(14)7-16)9-3-5-10(15)6-4-9/h3-6,11-12,16,18H,2,7-8H2,1H3/t11-,12-,14+/m1/s1