5-[(1S)-1-(3-methylphenyl)sulfanylethyl]furan-2-carboxylic acid

Systemtic Name: 5-[(1S)-1-(3-methylphenyl)sulfanylethyl]furan-2-carboxylic acid Openeye Name: 5-[(1S)-1-(m-tolylsulfanyl)ethyl]furan-2-carboxylic acid CAS Name: 5-[(1S)-1-[(3-methylphenyl)thio]ethyl]-2-furancarboxylic acid IUPAC Name: 5-[(1S)-1-(3-methylphenyl)sulfanylethyl]furan-2-carboxylic acid Traditional Name: 5-[(1S)-1-(m-tolylthio)ethyl]-2-furoic acid Formula: C14H14O3S MolecularWeight: 262.32416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14O3S/c1-9-4-3-5-11(8-9)18-10(2)12-6-7-13(17-12)14(15)16/h3-8,10H,1-2H3,(H,15,16)/t10-/m0/s1