[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C18H17BrFNO3S MolecularWeight: 426.299883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)CCSC2=CC=C(C=C2)F)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)CCSC2=CC=C(C=C2)F)Br

InChI

InChI=1S/C18H17BrFNO3S/c1-12-2-7-16(15(19)10-12)21-17(22)11-24-18(23)8-9-25-14-5-3-13(20)4-6-14/h2-7,10H,8-9,11H2,1H3,(H,21,22)