[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate

Systemtic Name: [2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: [2-oxo-2-(p-tolylmethylamino)ethyl] 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid [2-[(4-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid [2-keto-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C20H22BrNO3S MolecularWeight: 436.36258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)COC(=O)CSC2=C(C=C(C(=C2)C)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)COC(=O)CSC2=C(C=C(C(=C2)C)Br)C

InChI

InChI=1S/C20H22BrNO3S/c1-13-4-6-16(7-5-13)10-22-19(23)11-25-20(24)12-26-18-9-14(2)17(21)8-15(18)3/h4-9H,10-12H2,1-3H3,(H,22,23)