(2S)-4-(4-cyclohexylphenyl)-2-(4-methylphenyl)sulfanyl-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-(4-cyclohexylphenyl)-2-(4-methylphenyl)sulfanyl-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-(4-cyclohexylphenyl)-4-oxo-2-(p-tolylsulfanyl)butanoic acid CAS Name: (2S)-4-(4-cyclohexylphenyl)-2-[(4-methylphenyl)thio]-4-oxobutanoic acid IUPAC Name: (2S)-4-(4-cyclohexylphenyl)-2-(4-methylphenyl)sulfanyl-4-oxobutanoic acid Traditional Name: (2S)-4-(4-cyclohexylphenyl)-4-keto-2-(p-tolylthio)butyric acid Formula: C23H26O3S MolecularWeight: 382.51574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CC(=O)C2=CC=C(C=C2)C3CCCCC3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S[C@@H](CC(=O)C2=CC=C(C=C2)C3CCCCC3)C(=O)O

InChI

InChI=1S/C23H26O3S/c1-16-7-13-20(14-8-16)27-22(23(25)26)15-21(24)19-11-9-18(10-12-19)17-5-3-2-4-6-17/h7-14,17,22H,2-6,15H2,1H3,(H,25,26)/t22-/m0/s1