methyl 2-[2-(2-azanyl-5-bromanyl-phenyl)-2-(2-fluorophenyl)ethyl]sulfanylethanoate

Systemtic Name: methyl 2-[2-(2-azanyl-5-bromanyl-phenyl)-2-(2-fluorophenyl)ethyl]sulfanylethanoate Openeye Name: methyl 2-[2-(2-amino-5-bromo-phenyl)-2-(2-fluorophenyl)ethyl]sulfanylacetate CAS Name: 2-[[2-(2-amino-5-bromophenyl)-2-(2-fluorophenyl)ethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-amino-5-bromophenyl)-2-(2-fluorophenyl)ethyl]sulfanylacetate Traditional Name: 2-[[2-(2-amino-5-bromo-phenyl)-2-(2-fluorophenyl)ethyl]thio]acetic acid methyl ester Formula: C17H17BrFNO2S MolecularWeight: 398.289783

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC(C1=CC=CC=C1F)C2=C(C=CC(=C2)Br)N

Isomeric SMILES

COC(=O)CSCC(C1=CC=CC=C1F)C2=C(C=CC(=C2)Br)N

InChI

InChI=1S/C17H17BrFNO2S/c1-22-17(21)10-23-9-14(12-4-2-3-5-15(12)19)13-8-11(18)6-7-16(13)20/h2-8,14H,9-10,20H2,1H3