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

Systemtic Name: (2S)-2-azaniumyl-3-[(3,4-dichlorophenyl)methylsulfanyl]propanoate Openeye Name: (2S)-2-azaniumyl-3-[(3,4-dichlorophenyl)methylsulfanyl]propanoate CAS Name: (2S)-2-ammonio-3-[(3,4-dichlorophenyl)methylthio]propanoate IUPAC Name: (2S)-2-azaniumyl-3-[(3,4-dichlorophenyl)methylsulfanyl]propanoate Traditional Name: (2S)-2-ammonio-3-[(3,4-dichlorobenzyl)thio]propionate Formula: C10H11Cl2NO2S MolecularWeight: 280.17084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11Cl2NO2S/c11-7-2-1-6(3-8(7)12)4-16-5-9(13)10(14)15/h1-3,9H,4-5,13H2,(H,14,15)/t9-/m1/s1