[2-[[4-(dimethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [2-[[4-(dimethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-[4-(dimethylcarbamoyl)anilino]-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-[4-[dimethylamino(oxo)methyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-[4-(dimethylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C20H21BrN2O4S MolecularWeight: 465.36074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N(C)C

InChI

InChI=1S/C20H21BrN2O4S/c1-13-10-15(21)6-9-17(13)28-12-19(25)27-11-18(24)22-16-7-4-14(5-8-16)20(26)23(2)3/h4-10H,11-12H2,1-3H3,(H,22,24)