2-(3-bromanyl-4-propoxy-phenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: 2-(3-bromanyl-4-propoxy-phenyl)-1,3-thiazole-4-carboxylate Openeye Name: 2-(3-bromo-4-propoxy-phenyl)thiazole-4-carboxylate CAS Name: 2-(3-bromo-4-propoxyphenyl)-4-thiazolecarboxylate IUPAC Name: 2-(3-bromo-4-propoxyphenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(3-bromo-4-propoxy-phenyl)thiazole-4-carboxylate Formula: C13H11BrNO3S- MolecularWeight: 341.20034

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)[O-])Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)[O-])Br

InChI

InChI=1S/C13H12BrNO3S/c1-2-5-18-11-4-3-8(6-9(11)14)12-15-10(7-19-12)13(16)17/h3-4,6-7H,2,5H2,1H3,(H,16,17)/p-1