2-[4-methyl-2-(phenylmethylsulfanyl)-1,3-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[4-methyl-2-(phenylmethylsulfanyl)-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-(2-benzylsulfanyl-4-methyl-thiazol-5-yl)acetic acid CAS Name: 2-[4-methyl-2-(phenylmethylthio)-5-thiazolyl]acetic acid IUPAC Name: 2-(2-benzylsulfanyl-4-methyl-1,3-thiazol-5-yl)acetic acid Traditional Name: 2-[2-(benzylthio)-4-methyl-thiazol-5-yl]acetic acid Formula: C13H13NO2S2 MolecularWeight: 279.37782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SCC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)SCC2=CC=CC=C2)CC(=O)O

InChI

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