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

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C19H20BrNO3S MolecularWeight: 422.336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrNO3S/c1-12-5-4-6-13(2)19(12)21-17(22)10-24-18(23)11-25-16-8-7-15(20)9-14(16)3/h4-9H,10-11H2,1-3H3,(H,21,22)