(2S)-2-azaniumyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-propanoate

Systemtic Name: (2S)-2-azaniumyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-propanoate Openeye Name: (2S)-2-azaniumyl-3-[(E)-cinnamyl]sulfanyl-propanoate CAS Name: (2S)-2-ammonio-3-[[(E)-3-phenylprop-2-enyl]thio]propanoate IUPAC Name: (2S)-2-azaniumyl-3-[(E)-3-phenylprop-2-enyl]sulfanylpropanoate Traditional Name: (2S)-2-ammonio-3-[[(E)-cinnamyl]thio]propionate Formula: C12H15NO2S MolecularWeight: 237.318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO2S/c13-11(12(14)15)9-16-8-4-7-10-5-2-1-3-6-10/h1-7,11H,8-9,13H2,(H,14,15)/b7-4+/t11-/m1/s1