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

Systemtic Name: 2-[2-[2-(3-bromanylphenoxy)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-[2-(3-bromophenoxy)ethylsulfanyl]-4-methyl-thiazol-5-yl]acetic acid CAS Name: 2-[2-[2-(3-bromophenoxy)ethylthio]-4-methyl-5-thiazolyl]acetic acid IUPAC Name: 2-[2-[2-(3-bromophenoxy)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-[2-(3-bromophenoxy)ethylthio]-4-methyl-thiazol-5-yl]acetic acid Formula: C14H14BrNO3S2 MolecularWeight: 388.29986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SCCOC2=CC(=CC=C2)Br)CC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)SCCOC2=CC(=CC=C2)Br)CC(=O)O

InChI

InChI=1S/C14H14BrNO3S2/c1-9-12(8-13(17)18)21-14(16-9)20-6-5-19-11-4-2-3-10(15)7-11/h2-4,7H,5-6,8H2,1H3,(H,17,18)