3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanoic acid

Systemtic Name: 3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanoic acid Openeye Name: 3-[[2-(p-tolyl)thiazol-4-yl]methylsulfanyl]propanoic acid CAS Name: 3-[[2-(4-methylphenyl)-4-thiazolyl]methylthio]propanoic acid IUPAC Name: 3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanoic acid Traditional Name: 3-[[2-(p-tolyl)thiazol-4-yl]methylthio]propionic acid Formula: C14H15NO2S2 MolecularWeight: 293.4044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)CSCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)CSCCC(=O)O

InChI

InChI=1S/C14H15NO2S2/c1-10-2-4-11(5-3-10)14-15-12(9-19-14)8-18-7-6-13(16)17/h2-5,9H,6-8H2,1H3,(H,16,17)