(2S)-2-azanyl-3-(4-propanethioylphenyl)propanoic acid

Systemtic Name: (2S)-2-azanyl-3-(4-propanethioylphenyl)propanoic acid Openeye Name: (2S)-2-amino-3-(4-propanethioylphenyl)propanoic acid CAS Name: (2S)-2-amino-3-[4-(1-sulfanylidenepropyl)phenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-(4-propanethioylphenyl)propanoic acid Traditional Name: (2S)-2-amino-3-(4-propanethioylphenyl)propionic acid Formula: C12H15NO2S MolecularWeight: 237.318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=S)C1=CC=C(C=C1)CC(C(=O)O)N

Isomeric SMILES

CCC(=S)C1=CC=C(C=C1)C[C@@H](C(=O)O)N

InChI

InChI=1S/C12H15NO2S/c1-2-11(16)9-5-3-8(4-6-9)7-10(13)12(14)15/h3-6,10H,2,7,13H2,1H3,(H,14,15)/t10-/m0/s1