2-[5-bromanyl-2-[2-(diethylazaniumyl)ethoxy]phenyl]-1,3-thiazole-4-carboxylate

Systemtic Name: 2-[5-bromanyl-2-[2-(diethylazaniumyl)ethoxy]phenyl]-1,3-thiazole-4-carboxylate Openeye Name: 2-[5-bromo-2-[2-(diethylammonio)ethoxy]phenyl]thiazole-4-carboxylate CAS Name: 2-[5-bromo-2-[2-(diethylammonio)ethoxy]phenyl]-4-thiazolecarboxylate IUPAC Name: 2-[5-bromo-2-[2-(diethylazaniumyl)ethoxy]phenyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[5-bromo-2-[2-(diethylammonio)ethoxy]phenyl]thiazole-4-carboxylate Formula: C16H19BrN2O3S MolecularWeight: 399.30266

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC1=C(C=C(C=C1)Br)C2=NC(=CS2)C(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCOC1=C(C=C(C=C1)Br)C2=NC(=CS2)C(=O)[O-]

InChI

InChI=1S/C16H19BrN2O3S/c1-3-19(4-2)7-8-22-14-6-5-11(17)9-12(14)15-18-13(10-23-15)16(20)21/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,20,21)