2-[(2-bromanyl-6-phenethyl-phenoxy)methyl]-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[(2-bromanyl-6-phenethyl-phenoxy)methyl]-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[(2-bromo-6-phenethyl-phenoxy)methyl]thiazole-5-carboxylic acid CAS Name: 2-[(2-bromo-6-phenethylphenoxy)methyl]-5-thiazolecarboxylic acid IUPAC Name: 2-[(2-bromo-6-phenethylphenoxy)methyl]-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[(2-bromo-6-phenethyl-phenoxy)methyl]thiazole-5-carboxylic acid Formula: C19H16BrNO3S MolecularWeight: 418.30424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=C(C(=CC=C2)Br)OCC3=NC=C(S3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(C(=CC=C2)Br)OCC3=NC=C(S3)C(=O)O

InChI

InChI=1S/C19H16BrNO3S/c20-15-8-4-7-14(10-9-13-5-2-1-3-6-13)18(15)24-12-17-21-11-16(25-17)19(22)23/h1-8,11H,9-10,12H2,(H,22,23)