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

Systemtic Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxo-ethyl] 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid [2-[4-(2-acetamidoethyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxoethyl] 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid [2-[4-(2-acetamidoethyl)phenyl]-2-keto-ethyl] ester Formula: C22H24BrNO4S MolecularWeight: 478.39926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)C2=CC=C(C=C2)CCNC(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)C2=CC=C(C=C2)CCNC(=O)C

InChI

InChI=1S/C22H24BrNO4S/c1-14-11-21(15(2)10-19(14)23)29-13-22(27)28-12-20(26)18-6-4-17(5-7-18)8-9-24-16(3)25/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,24,25)