[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO3S/c1-12-4-3-5-13(2)18(12)20-16(21)10-23-17(22)11-24-15-8-6-14(19)7-9-15/h3-9H,10-11H2,1-2H3,(H,20,21)