2-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[(2-benzyloxy-5-bromo-phenyl)methyl-ethyl-amino]thiazole-5-carboxylic acid CAS Name: 2-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-5-thiazolecarboxylic acid IUPAC Name: 2-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[(2-benzoxy-5-bromo-benzyl)-ethyl-amino]thiazole-5-carboxylic acid Formula: C20H19BrN2O3S MolecularWeight: 447.34546

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=NC=C(S3)C(=O)O

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=NC=C(S3)C(=O)O

InChI

InChI=1S/C20H19BrN2O3S/c1-2-23(20-22-11-18(27-20)19(24)25)12-15-10-16(21)8-9-17(15)26-13-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,24,25)