(2S)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]propanoate

Systemtic Name: (2S)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]propanoate Openeye Name: (2S)-2-[(2-phenylthiazol-4-yl)methylsulfanyl]propanoate CAS Name: (2S)-2-[(2-phenyl-4-thiazolyl)methylthio]propanoate IUPAC Name: (2S)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]propanoate Traditional Name: (2S)-2-[(2-phenylthiazol-4-yl)methylthio]propionate Formula: C13H12NO2S2- MolecularWeight: 278.36988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SCC1=CSC(=N1)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)[O-])SCC1=CSC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C13H13NO2S2/c1-9(13(15)16)17-7-11-8-18-12(14-11)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,15,16)/p-1/t9-/m0/s1