(2S)-2-azaniumyl-3-[(3-cyanophenyl)methylsulfanyl]propanoate

Systemtic Name: (2S)-2-azaniumyl-3-[(3-cyanophenyl)methylsulfanyl]propanoate Openeye Name: (2S)-2-azaniumyl-3-[(3-cyanophenyl)methylsulfanyl]propanoate CAS Name: (2S)-2-ammonio-3-[(3-cyanophenyl)methylthio]propanoate IUPAC Name: (2S)-2-azaniumyl-3-[(3-cyanophenyl)methylsulfanyl]propanoate Traditional Name: (2S)-2-ammonio-3-[(3-cyanobenzyl)thio]propionate Formula: C11H12N2O2S MolecularWeight: 236.29018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSCC(C(=O)[O-])[NH3+])C#N

Isomeric SMILES

C1=CC(=CC(=C1)CSC[C@H](C(=O)[O-])[NH3+])C#N

InChI

InChI=1S/C11H12N2O2S/c12-5-8-2-1-3-9(4-8)6-16-7-10(13)11(14)15/h1-4,10H,6-7,13H2,(H,14,15)/t10-/m1/s1