(3S,6S)-6-[(4-fluorophenyl)methyl]-5-oxidanylidene-thiomorpholine-3-carboxylic acid

Systemtic Name: (3S,6S)-6-[(4-fluorophenyl)methyl]-5-oxidanylidene-thiomorpholine-3-carboxylic acid Openeye Name: (3S,6S)-6-[(4-fluorophenyl)methyl]-5-oxo-thiomorpholine-3-carboxylic acid CAS Name: (3S,6S)-6-[(4-fluorophenyl)methyl]-5-oxo-3-thiomorpholinecarboxylic acid IUPAC Name: (3S,6S)-6-[(4-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxylic acid Traditional Name: (3S,6S)-6-(4-fluorobenzyl)-5-keto-thiomorpholine-3-carboxylic acid Formula: C12H12FNO3S MolecularWeight: 269.291983

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=O)C(S1)CC2=CC=C(C=C2)F)C(=O)O

Isomeric SMILES

C1[C@@H](NC(=O)[C@@H](S1)CC2=CC=C(C=C2)F)C(=O)O

InChI

InChI=1S/C12H12FNO3S/c13-8-3-1-7(2-4-8)5-10-11(15)14-9(6-18-10)12(16)17/h1-4,9-10H,5-6H2,(H,14,15)(H,16,17)/t9-,10+/m1/s1