(2S)-4-(4-cyclohexylphenyl)-2-cyclohexylsulfanyl-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-(4-cyclohexylphenyl)-2-cyclohexylsulfanyl-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-(4-cyclohexylphenyl)-2-cyclohexylsulfanyl-4-oxo-butanoic acid CAS Name: (2S)-4-(4-cyclohexylphenyl)-2-(cyclohexylthio)-4-oxobutanoic acid IUPAC Name: (2S)-4-(4-cyclohexylphenyl)-2-cyclohexylsulfanyl-4-oxobutanoic acid Traditional Name: (2S)-4-(4-cyclohexylphenyl)-2-(cyclohexylthio)-4-keto-butyric acid Formula: C22H30O3S MolecularWeight: 374.5368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CC(C(=O)O)SC3CCCCC3

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)C[C@@H](C(=O)O)SC3CCCCC3

InChI

InChI=1S/C22H30O3S/c23-20(15-21(22(24)25)26-19-9-5-2-6-10-19)18-13-11-17(12-14-18)16-7-3-1-4-8-16/h11-14,16,19,21H,1-10,15H2,(H,24,25)/t21-/m0/s1