[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-oxo-2-(p-tolylmethylamino)ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-[(4-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-keto-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C19H20BrNO3S MolecularWeight: 422.336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrNO3S/c1-13-3-5-15(6-4-13)10-21-18(22)11-24-19(23)12-25-17-8-7-16(20)9-14(17)2/h3-9H,10-12H2,1-2H3,(H,21,22)