[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C20H20BrNO4S MolecularWeight: 450.3461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)SC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)SC)Br

InChI

InChI=1S/C20H20BrNO4S/c1-13-3-8-17(16(21)11-13)22-19(24)12-26-20(25)10-9-18(23)14-4-6-15(27-2)7-5-14/h3-8,11H,9-10,12H2,1-2H3,(H,22,24)