(2S)-2-(4-chlorophenyl)sulfanyl-4-(4-cyclohexylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (2S)-2-(4-chlorophenyl)sulfanyl-4-(4-cyclohexylphenyl)-4-oxidanylidene-butanoate Openeye Name: (2S)-2-(4-chlorophenyl)sulfanyl-4-(4-cyclohexylphenyl)-4-oxo-butanoate CAS Name: (2S)-2-[(4-chlorophenyl)thio]-4-(4-cyclohexylphenyl)-4-oxobutanoate IUPAC Name: (2S)-2-(4-chlorophenyl)sulfanyl-4-(4-cyclohexylphenyl)-4-oxobutanoate Traditional Name: (2S)-2-[(4-chlorophenyl)thio]-4-(4-cyclohexylphenyl)-4-keto-butyrate Formula: C22H22ClO3S- MolecularWeight: 401.92628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CC(C(=O)[O-])SC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)C[C@@H](C(=O)[O-])SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H23ClO3S/c23-18-10-12-19(13-11-18)27-21(22(25)26)14-20(24)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-13,15,21H,1-5,14H2,(H,25,26)/p-1/t21-/m0/s1