(2S)-2-[(4-cyanophenyl)methylsulfanyl]propanoate

Systemtic Name: (2S)-2-[(4-cyanophenyl)methylsulfanyl]propanoate Openeye Name: (2S)-2-[(4-cyanophenyl)methylsulfanyl]propanoate CAS Name: (2S)-2-[(4-cyanophenyl)methylthio]propanoate IUPAC Name: (2S)-2-[(4-cyanophenyl)methylsulfanyl]propanoate Traditional Name: (2S)-2-[(4-cyanobenzyl)thio]propionate Formula: C11H10NO2S- MolecularWeight: 220.2676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SCC1=CC=C(C=C1)C#N

Isomeric SMILES

C[C@@H](C(=O)[O-])SCC1=CC=C(C=C1)C#N

InChI

InChI=1S/C11H11NO2S/c1-8(11(13)14)15-7-10-4-2-9(6-12)3-5-10/h2-5,8H,7H2,1H3,(H,13,14)/p-1/t8-/m0/s1