5-[(1S)-1-(2,4-dimethylphenyl)sulfanylethyl]furan-2-carboxylic acid

Systemtic Name: 5-[(1S)-1-(2,4-dimethylphenyl)sulfanylethyl]furan-2-carboxylic acid Openeye Name: 5-[(1S)-1-(2,4-dimethylphenyl)sulfanylethyl]furan-2-carboxylic acid CAS Name: 5-[(1S)-1-[(2,4-dimethylphenyl)thio]ethyl]-2-furancarboxylic acid IUPAC Name: 5-[(1S)-1-(2,4-dimethylphenyl)sulfanylethyl]furan-2-carboxylic acid Traditional Name: 5-[(1S)-1-[(2,4-dimethylphenyl)thio]ethyl]-2-furoic acid Formula: C15H16O3S MolecularWeight: 276.35074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC(C)C2=CC=C(O2)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)S[C@@H](C)C2=CC=C(O2)C(=O)O)C

InChI

InChI=1S/C15H16O3S/c1-9-4-7-14(10(2)8-9)19-11(3)12-5-6-13(18-12)15(16)17/h4-8,11H,1-3H3,(H,16,17)/t11-/m0/s1