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

Systemtic Name: (2S)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoate Openeye Name: (2S)-2-[(2-methylthiazol-4-yl)methylsulfanyl]propanoate CAS Name: (2S)-2-[(2-methyl-4-thiazolyl)methylthio]propanoate IUPAC Name: (2S)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoate Traditional Name: (2S)-2-[(2-methylthiazol-4-yl)methylthio]propionate Formula: C8H10NO2S2- MolecularWeight: 216.3005

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC(C)C(=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)CS[C@@H](C)C(=O)[O-]

InChI

InChI=1S/C8H11NO2S2/c1-5(8(10)11)12-3-7-4-13-6(2)9-7/h4-5H,3H2,1-2H3,(H,10,11)/p-1/t5-/m0/s1