[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C18H17BrFNO3S MolecularWeight: 426.299883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)NCC2=CC=C(C=C2)F

InChI

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