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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1CCCCC1NC(=O)COC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H26ClNO3S/c1-16-4-2-3-5-21(16)25-22(26)14-28-23(27)18-8-6-17(7-9-18)15-29-20-12-10-19(24)11-13-20/h6-13,16,21H,2-5,14-15H2,1H3,(H,25,26)