(2-cyanophenyl)methyl (2R)-2-[(4-bromophenyl)methylsulfanyl]propanoate

Systemtic Name: (2-cyanophenyl)methyl (2R)-2-[(4-bromophenyl)methylsulfanyl]propanoate Openeye Name: (2-cyanophenyl)methyl (2R)-2-[(4-bromophenyl)methylsulfanyl]propanoate CAS Name: (2R)-2-[(4-bromophenyl)methylthio]propanoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl (2R)-2-[(4-bromophenyl)methylsulfanyl]propanoate Traditional Name: (2R)-2-[(4-bromobenzyl)thio]propionic acid (2-cyanobenzyl) ester Formula: C18H16BrNO2S MolecularWeight: 390.29414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1C#N)SCC2=CC=C(C=C2)Br

Isomeric SMILES

C[C@H](C(=O)OCC1=CC=CC=C1C#N)SCC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H16BrNO2S/c1-13(23-12-14-6-8-17(19)9-7-14)18(21)22-11-16-5-3-2-4-15(16)10-20/h2-9,13H,11-12H2,1H3/t13-/m1/s1