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

Systemtic Name: 2-[2-[(3-bromophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]ethanoate Openeye Name: 2-[2-[(3-bromophenyl)methylsulfanyl]-4-methyl-thiazol-5-yl]acetate CAS Name: 2-[2-[(3-bromophenyl)methylthio]-4-methyl-5-thiazolyl]acetate IUPAC Name: 2-[2-[(3-bromophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetate Traditional Name: 2-[2-[(3-bromobenzyl)thio]-4-methyl-thiazol-5-yl]acetate Formula: C13H11BrNO2S2- MolecularWeight: 357.26594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SCC2=CC(=CC=C2)Br)CC(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)SCC2=CC(=CC=C2)Br)CC(=O)[O-]

InChI

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