3-phenyl-2-(propanethioylamino)propanoic acid

Systemtic Name: 3-phenyl-2-(propanethioylamino)propanoic acid Openeye Name: 3-phenyl-2-(propanethioylamino)propanoic acid CAS Name: 3-phenyl-2-(1-sulfanylidenepropylamino)propanoic acid IUPAC Name: 3-phenyl-2-(propanethioylamino)propanoic acid Traditional Name: 3-phenyl-2-(propanethioylamino)propionic acid Formula: C12H15NO2S MolecularWeight: 237.318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=S)NC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCC(=S)NC(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C12H15NO2S/c1-2-11(16)13-10(12(14)15)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,13,16)(H,14,15)