(2S)-2-azaniumyl-3-[(4-chlorophenyl)methylsulfanyl]propanoate

Systemtic Name: (2S)-2-azaniumyl-3-[(4-chlorophenyl)methylsulfanyl]propanoate Openeye Name: (2S)-2-azaniumyl-3-[(4-chlorophenyl)methylsulfanyl]propanoate CAS Name: (2S)-2-ammonio-3-[(4-chlorophenyl)methylthio]propanoate IUPAC Name: (2S)-2-azaniumyl-3-[(4-chlorophenyl)methylsulfanyl]propanoate Traditional Name: (2S)-2-ammonio-3-[(4-chlorobenzyl)thio]propionate Formula: C10H12ClNO2S MolecularWeight: 245.72578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC(C(=O)[O-])[NH3+])Cl

Isomeric SMILES

C1=CC(=CC=C1CSC[C@H](C(=O)[O-])[NH3+])Cl

InChI

InChI=1S/C10H12ClNO2S/c11-8-3-1-7(2-4-8)5-15-6-9(12)10(13)14/h1-4,9H,5-6,12H2,(H,13,14)/t9-/m1/s1