methyl 4-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzoate hydrobromide

Systemtic Name: methyl 4-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzoate hydrobromide Openeye Name: methyl 4-[4-(3-pyridyl)thiazol-2-yl]benzoate hydrobromide CAS Name: 4-[4-(3-pyridinyl)-2-thiazolyl]benzoic acid methyl ester hydrobromide IUPAC Name: methyl 4-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzoate hydrobromide Traditional Name: 4-[4-(3-pyridyl)thiazol-2-yl]benzoic acid methyl ester hydrobromide Formula: C16H13BrN2O2S MolecularWeight: 377.25562

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NC(=CS2)C3=CN=CC=C3.Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NC(=CS2)C3=CN=CC=C3.Br

InChI

InChI=1S/C16H12N2O2S.BrH/c1-20-16(19)12-6-4-11(5-7-12)15-18-14(10-21-15)13-3-2-8-17-9-13;/h2-10H,1H3;1H