ethyl (3S,4S,5S)-4-(hydroxymethyl)-5-(2-nitrophenyl)-3-oxidanyl-thiolane-3-carboxylate

Systemtic Name: ethyl (3S,4S,5S)-4-(hydroxymethyl)-5-(2-nitrophenyl)-3-oxidanyl-thiolane-3-carboxylate Openeye Name: ethyl (3S,4S,5S)-3-hydroxy-4-(hydroxymethyl)-5-(2-nitrophenyl)tetrahydrothiophene-3-carboxylate CAS Name: (3S,4S,5S)-3-hydroxy-4-(hydroxymethyl)-5-(2-nitrophenyl)-3-thiolanecarboxylic acid ethyl ester IUPAC Name: ethyl (3S,4S,5S)-3-hydroxy-4-(hydroxymethyl)-5-(2-nitrophenyl)thiolane-3-carboxylate Traditional Name: (3S,4S,5S)-3-hydroxy-4-methylol-5-(2-nitrophenyl)tetrahydrothiophene-3-carboxylic acid ethyl ester Formula: C14H17NO6S MolecularWeight: 327.35288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CSC(C1CO)C2=CC=CC=C2[N+](=O)[O-])O

Isomeric SMILES

CCOC(=O)[C@@]1(CS[C@@H]([C@H]1CO)C2=CC=CC=C2[N+](=O)[O-])O

InChI

InChI=1S/C14H17NO6S/c1-2-21-13(17)14(18)8-22-12(10(14)7-16)9-5-3-4-6-11(9)15(19)20/h3-6,10,12,16,18H,2,7-8H2,1H3/t10-,12-,14+/m1/s1