2-[4-(4-bromanyl-3-methyl-phenyl)-1,3-thiazol-2-yl]ethanoic acid

Systemtic Name: 2-[4-(4-bromanyl-3-methyl-phenyl)-1,3-thiazol-2-yl]ethanoic acid Openeye Name: 2-[4-(4-bromo-3-methyl-phenyl)thiazol-2-yl]acetic acid CAS Name: 2-[4-(4-bromo-3-methylphenyl)-2-thiazolyl]acetic acid IUPAC Name: 2-[4-(4-bromo-3-methylphenyl)-1,3-thiazol-2-yl]acetic acid Traditional Name: 2-[4-(4-bromo-3-methyl-phenyl)thiazol-2-yl]acetic acid Formula: C12H10BrNO2S MolecularWeight: 312.1823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CSC(=N2)CC(=O)O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CSC(=N2)CC(=O)O)Br

InChI

InChI=1S/C12H10BrNO2S/c1-7-4-8(2-3-9(7)13)10-6-17-11(14-10)5-12(15)16/h2-4,6H,5H2,1H3,(H,15,16)