2-[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]propanoic acid

Systemtic Name: 2-[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]propanoic acid Openeye Name: 2-(3-methyl-4-thiazol-2-ylsulfanyl-phenyl)propanoic acid CAS Name: 2-[3-methyl-4-(2-thiazolylthio)phenyl]propanoic acid IUPAC Name: 2-[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]propanoic acid Traditional Name: 2-[3-methyl-4-(thiazol-2-ylthio)phenyl]propionic acid Formula: C13H13NO2S2 MolecularWeight: 279.37782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)C(=O)O)SC2=NC=CS2

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)C(=O)O)SC2=NC=CS2

InChI

InChI=1S/C13H13NO2S2/c1-8-7-10(9(2)12(15)16)3-4-11(8)18-13-14-5-6-17-13/h3-7,9H,1-2H3,(H,15,16)