ethyl (3S,4S,5S)-5-(1,3-benzodioxol-5-yl)-4-(hydroxymethyl)-3-oxidanyl-thiolane-3-carboxylate

Systemtic Name: ethyl (3S,4S,5S)-5-(1,3-benzodioxol-5-yl)-4-(hydroxymethyl)-3-oxidanyl-thiolane-3-carboxylate Openeye Name: ethyl (3S,4S,5S)-5-(1,3-benzodioxol-5-yl)-3-hydroxy-4-(hydroxymethyl)tetrahydrothiophene-3-carboxylate CAS Name: (3S,4S,5S)-5-(1,3-benzodioxol-5-yl)-3-hydroxy-4-(hydroxymethyl)-3-thiolanecarboxylic acid ethyl ester IUPAC Name: ethyl (3S,4S,5S)-5-(1,3-benzodioxol-5-yl)-3-hydroxy-4-(hydroxymethyl)thiolane-3-carboxylate Traditional Name: (3S,4S,5S)-5-(1,3-benzodioxol-5-yl)-3-hydroxy-4-methylol-tetrahydrothiophene-3-carboxylic acid ethyl ester Formula: C15H18O6S MolecularWeight: 326.36482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CSC(C1CO)C2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

CCOC(=O)[C@@]1(CS[C@@H]([C@H]1CO)C2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C15H18O6S/c1-2-19-14(17)15(18)7-22-13(10(15)6-16)9-3-4-11-12(5-9)21-8-20-11/h3-5,10,13,16,18H,2,6-8H2,1H3/t10-,13-,15+/m1/s1