[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C21H24BrNO3S MolecularWeight: 450.38916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)CSC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)CSC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C21H24BrNO3S/c1-4-15-7-6-8-16(5-2)21(15)23-19(24)12-26-20(25)13-27-18-10-9-17(22)11-14(18)3/h6-11H,4-5,12-13H2,1-3H3,(H,23,24)