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

Systemtic Name: 2-[3-chloranyl-4-[2-(dimethylazaniumyl)ethoxy]-5-methoxy-phenyl]-1,3-thiazole-4-carboxylate Openeye Name: 2-[3-chloro-4-[2-(dimethylammonio)ethoxy]-5-methoxy-phenyl]thiazole-4-carboxylate CAS Name: 2-[3-chloro-4-[2-(dimethylammonio)ethoxy]-5-methoxyphenyl]-4-thiazolecarboxylate IUPAC Name: 2-[3-chloro-4-[2-(dimethylazaniumyl)ethoxy]-5-methoxyphenyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[3-chloro-4-[2-(dimethylammonio)ethoxy]-5-methoxy-phenyl]thiazole-4-carboxylate Formula: C15H17ClN2O4S MolecularWeight: 356.82448

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=C(C=C(C=C1Cl)C2=NC(=CS2)C(=O)[O-])OC

Isomeric SMILES

C[NH+](C)CCOC1=C(C=C(C=C1Cl)C2=NC(=CS2)C(=O)[O-])OC

InChI

InChI=1S/C15H17ClN2O4S/c1-18(2)4-5-22-13-10(16)6-9(7-12(13)21-3)14-17-11(8-23-14)15(19)20/h6-8H,4-5H2,1-3H3,(H,19,20)