(2S)-2-[(4-chlorophenyl)methylsulfanyl]-4-(4-cyclohexylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (2S)-2-[(4-chlorophenyl)methylsulfanyl]-4-(4-cyclohexylphenyl)-4-oxidanylidene-butanoate Openeye Name: (2S)-2-[(4-chlorophenyl)methylsulfanyl]-4-(4-cyclohexylphenyl)-4-oxo-butanoate CAS Name: (2S)-2-[(4-chlorophenyl)methylthio]-4-(4-cyclohexylphenyl)-4-oxobutanoate IUPAC Name: (2S)-2-[(4-chlorophenyl)methylsulfanyl]-4-(4-cyclohexylphenyl)-4-oxobutanoate Traditional Name: (2S)-2-[(4-chlorobenzyl)thio]-4-(4-cyclohexylphenyl)-4-keto-butyrate Formula: C23H24ClO3S- MolecularWeight: 415.95286

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CC(C(=O)[O-])SCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)C[C@@H](C(=O)[O-])SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H25ClO3S/c24-20-12-6-16(7-13-20)15-28-22(23(26)27)14-21(25)19-10-8-18(9-11-19)17-4-2-1-3-5-17/h6-13,17,22H,1-5,14-15H2,(H,26,27)/p-1/t22-/m0/s1