methyl 3-[2-[(5-bromanyl-3-phenylmethoxy-pyridin-2-yl)amino]-1,3-thiazol-4-yl]propanoate

Systemtic Name: methyl 3-[2-[(5-bromanyl-3-phenylmethoxy-pyridin-2-yl)amino]-1,3-thiazol-4-yl]propanoate Openeye Name: methyl 3-[2-[(3-benzyloxy-5-bromo-2-pyridyl)amino]thiazol-4-yl]propanoate CAS Name: 3-[2-[(5-bromo-3-phenylmethoxy-2-pyridinyl)amino]-4-thiazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[(5-bromo-3-phenylmethoxypyridin-2-yl)amino]-1,3-thiazol-4-yl]propanoate Traditional Name: 3-[2-[(3-benzoxy-5-bromo-2-pyridyl)amino]thiazol-4-yl]propionic acid methyl ester Formula: C19H18BrN3O3S MolecularWeight: 448.33352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CSC(=N1)NC2=NC=C(C=C2OCC3=CC=CC=C3)Br

Isomeric SMILES

COC(=O)CCC1=CSC(=N1)NC2=NC=C(C=C2OCC3=CC=CC=C3)Br

InChI

InChI=1S/C19H18BrN3O3S/c1-25-17(24)8-7-15-12-27-19(22-15)23-18-16(9-14(20)10-21-18)26-11-13-5-3-2-4-6-13/h2-6,9-10,12H,7-8,11H2,1H3,(H,21,22,23)