2-[3-chloranyl-4-[2-(dimethylazaniumyl)ethoxy]-5-ethoxy-phenyl]-1,3-thiazole-4-carboxylate

Systemtic Name: 2-[3-chloranyl-4-[2-(dimethylazaniumyl)ethoxy]-5-ethoxy-phenyl]-1,3-thiazole-4-carboxylate Openeye Name: 2-[3-chloro-4-[2-(dimethylammonio)ethoxy]-5-ethoxy-phenyl]thiazole-4-carboxylate CAS Name: 2-[3-chloro-4-[2-(dimethylammonio)ethoxy]-5-ethoxyphenyl]-4-thiazolecarboxylate IUPAC Name: 2-[3-chloro-4-[2-(dimethylazaniumyl)ethoxy]-5-ethoxyphenyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[3-chloro-4-[2-(dimethylammonio)ethoxy]-5-ethoxy-phenyl]thiazole-4-carboxylate Formula: C16H19ClN2O4S MolecularWeight: 370.85106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN2O4S/c1-4-22-13-8-10(15-18-12(9-24-15)16(20)21)7-11(17)14(13)23-6-5-19(2)3/h7-9H,4-6H2,1-3H3,(H,20,21)