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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSCCC(=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)CSCCC(=O)[O-]

InChI

InChI=1S/C8H11NO2S2/c1-6-9-7(5-13-6)4-12-3-2-8(10)11/h5H,2-4H2,1H3,(H,10,11)/p-1