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

Systemtic Name: 2-[2-[(2-bromophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-[(2-bromophenyl)methylsulfanyl]-4-methyl-thiazol-5-yl]acetic acid CAS Name: 2-[2-[(2-bromophenyl)methylthio]-4-methyl-5-thiazolyl]acetic acid IUPAC Name: 2-[2-[(2-bromophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-[(2-bromobenzyl)thio]-4-methyl-thiazol-5-yl]acetic acid Formula: C13H12BrNO2S2 MolecularWeight: 358.27388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SCC2=CC=CC=C2Br)CC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)SCC2=CC=CC=C2Br)CC(=O)O

InChI

InChI=1S/C13H12BrNO2S2/c1-8-11(6-12(16)17)19-13(15-8)18-7-9-4-2-3-5-10(9)14/h2-5H,6-7H2,1H3,(H,16,17)