5-[(1S)-1-(3,5-dimethylphenyl)sulfanylethyl]furan-2-carboxylate

Systemtic Name: 5-[(1S)-1-(3,5-dimethylphenyl)sulfanylethyl]furan-2-carboxylate Openeye Name: 5-[(1S)-1-(3,5-dimethylphenyl)sulfanylethyl]furan-2-carboxylate CAS Name: 5-[(1S)-1-[(3,5-dimethylphenyl)thio]ethyl]-2-furancarboxylate IUPAC Name: 5-[(1S)-1-(3,5-dimethylphenyl)sulfanylethyl]furan-2-carboxylate Traditional Name: 5-[(1S)-1-[(3,5-dimethylphenyl)thio]ethyl]-2-furoate Formula: C15H15O3S- MolecularWeight: 275.3428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)SC(C)C2=CC=C(O2)C(=O)[O-])C

Isomeric SMILES

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

InChI

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