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

Systemtic Name: 2-[3-chloranyl-4-[2-(dimethylazaniumyl)ethoxy]-5-ethoxy-phenyl]-4-ethyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[3-chloro-4-[2-(dimethylammonio)ethoxy]-5-ethoxy-phenyl]-4-ethyl-thiazole-5-carboxylate CAS Name: 2-[3-chloro-4-[2-(dimethylammonio)ethoxy]-5-ethoxyphenyl]-4-ethyl-5-thiazolecarboxylate IUPAC Name: 2-[3-chloro-4-[2-(dimethylazaniumyl)ethoxy]-5-ethoxyphenyl]-4-ethyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-chloro-4-[2-(dimethylammonio)ethoxy]-5-ethoxy-phenyl]-4-ethyl-thiazole-5-carboxylate Formula: C18H23ClN2O4S MolecularWeight: 398.90422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=N1)C2=CC(=C(C(=C2)Cl)OCC[NH+](C)C)OCC)C(=O)[O-]

Isomeric SMILES

CCC1=C(SC(=N1)C2=CC(=C(C(=C2)Cl)OCC[NH+](C)C)OCC)C(=O)[O-]

InChI

InChI=1S/C18H23ClN2O4S/c1-5-13-16(18(22)23)26-17(20-13)11-9-12(19)15(14(10-11)24-6-2)25-8-7-21(3)4/h9-10H,5-8H2,1-4H3,(H,22,23)