5-[[(1S)-1-[(1S,3R)-3-carboxycyclopentyl]ethyl]sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[(1S)-1-[(1S,3R)-3-carboxycyclopentyl]ethyl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[(1S)-1-[(1S,3R)-3-carboxycyclopentyl]ethyl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[(1S)-1-[(1S,3R)-3-carboxycyclopentyl]ethyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[(1S)-1-[(1S,3R)-3-carboxycyclopentyl]ethyl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[(1S)-1-[(1S,3R)-3-carboxycyclopentyl]ethyl]thio]methyl]-2-furoic acid Formula: C14H18O5S MolecularWeight: 298.35472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC(C1)C(=O)O)SCC2=CC=C(O2)C(=O)O

Isomeric SMILES

C[C@@H]([C@H]1CC[C@H](C1)C(=O)O)SCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C14H18O5S/c1-8(9-2-3-10(6-9)13(15)16)20-7-11-4-5-12(19-11)14(17)18/h4-5,8-10H,2-3,6-7H2,1H3,(H,15,16)(H,17,18)/t8-,9-,10+/m0/s1