[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)methylsulfanyl]ethanoate

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)methylsulfanyl]ethanoate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] 2-[(4-fluorophenyl)methylsulfanyl]acetate CAS Name: 2-[(4-fluorophenyl)methylthio]acetic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-[(4-fluorophenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-fluorobenzyl)thio]acetic 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)CSCC2=CC=C(C=C2)F)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)CSCC2=CC=C(C=C2)F)Br

InChI

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