[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C23H26ClNO3S MolecularWeight: 431.97544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)COC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC(CC1)CNC(=O)COC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H26ClNO3S/c24-20-10-12-21(13-11-20)29-16-18-6-8-19(9-7-18)23(27)28-15-22(26)25-14-17-4-2-1-3-5-17/h6-13,17H,1-5,14-16H2,(H,25,26)