(2-bromanyl-4-fluoranyl-phenyl)methyl 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: (2-bromanyl-4-fluoranyl-phenyl)methyl 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: (2-bromo-4-fluoro-phenyl)methyl 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]propanoic acid (2-bromo-4-fluorophenyl)methyl ester IUPAC Name: (2-bromo-4-fluorophenyl)methyl 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]propionic acid (2-bromo-4-fluoro-benzyl) ester Formula: C19H19BrFNO3S MolecularWeight: 440.326463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)OCC2=C(C=C(C=C2)F)Br

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)OCC2=C(C=C(C=C2)F)Br

InChI

InChI=1S/C19H19BrFNO3S/c1-12-3-7-16(8-4-12)22-18(23)11-26-13(2)19(24)25-10-14-5-6-15(21)9-17(14)20/h3-9,13H,10-11H2,1-2H3,(H,22,23)