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

Systemtic Name: 2-[3-chloranyl-4-[2-(dimethylazaniumyl)ethoxy]-5-methoxy-phenyl]-4-ethyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[3-chloro-4-[2-(dimethylammonio)ethoxy]-5-methoxy-phenyl]-4-ethyl-thiazole-5-carboxylate CAS Name: 2-[3-chloro-4-[2-(dimethylammonio)ethoxy]-5-methoxyphenyl]-4-ethyl-5-thiazolecarboxylate IUPAC Name: 2-[3-chloro-4-[2-(dimethylazaniumyl)ethoxy]-5-methoxyphenyl]-4-ethyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-chloro-4-[2-(dimethylammonio)ethoxy]-5-methoxy-phenyl]-4-ethyl-thiazole-5-carboxylate Formula: C17H21ClN2O4S MolecularWeight: 384.87764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN2O4S/c1-5-12-15(17(21)22)25-16(19-12)10-8-11(18)14(13(9-10)23-4)24-7-6-20(2)3/h8-9H,5-7H2,1-4H3,(H,21,22)