[5-bromanyl-2-[2-(dimethylaminomethyl)phenyl]sulfanyl-phenyl]methyl ethanoate

Systemtic Name: [5-bromanyl-2-[2-(dimethylaminomethyl)phenyl]sulfanyl-phenyl]methyl ethanoate Openeye Name: [5-bromo-2-[2-(dimethylaminomethyl)phenyl]sulfanyl-phenyl]methyl acetate CAS Name: acetic acid [5-bromo-2-[[2-(dimethylaminomethyl)phenyl]thio]phenyl]methyl ester IUPAC Name: [5-bromo-2-[2-(dimethylaminomethyl)phenyl]sulfanylphenyl]methyl acetate Traditional Name: acetic acid [5-bromo-2-[[2-(dimethylaminomethyl)phenyl]thio]benzyl] ester Formula: C18H20BrNO2S MolecularWeight: 394.3259

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(C=CC(=C1)Br)SC2=CC=CC=C2CN(C)C

Isomeric SMILES

CC(=O)OCC1=C(C=CC(=C1)Br)SC2=CC=CC=C2CN(C)C

InChI

InChI=1S/C18H20BrNO2S/c1-13(21)22-12-15-10-16(19)8-9-18(15)23-17-7-5-4-6-14(17)11-20(2)3/h4-10H,11-12H2,1-3H3