5-[(1S)-1-(4-tert-butylphenyl)sulfanylethyl]furan-2-carboxylic acid

Systemtic Name: 5-[(1S)-1-(4-tert-butylphenyl)sulfanylethyl]furan-2-carboxylic acid Openeye Name: 5-[(1S)-1-(4-tert-butylphenyl)sulfanylethyl]furan-2-carboxylic acid CAS Name: 5-[(1S)-1-[(4-tert-butylphenyl)thio]ethyl]-2-furancarboxylic acid IUPAC Name: 5-[(1S)-1-(4-tert-butylphenyl)sulfanylethyl]furan-2-carboxylic acid Traditional Name: 5-[(1S)-1-[(4-tert-butylphenyl)thio]ethyl]-2-furoic acid Formula: C17H20O3S MolecularWeight: 304.4039

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(O1)C(=O)O)SC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

C[C@@H](C1=CC=C(O1)C(=O)O)SC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C17H20O3S/c1-11(14-9-10-15(20-14)16(18)19)21-13-7-5-12(6-8-13)17(2,3)4/h5-11H,1-4H3,(H,18,19)/t11-/m0/s1