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

Systemtic Name: 2-[4-[2-(dimethylazaniumyl)ethoxy]-3-ethoxy-phenyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[4-[2-(dimethylammonio)ethoxy]-3-ethoxy-phenyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[4-[2-(dimethylammonio)ethoxy]-3-ethoxyphenyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[4-[2-(dimethylazaniumyl)ethoxy]-3-ethoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[4-[2-(dimethylammonio)ethoxy]-3-ethoxy-phenyl]-4-methyl-thiazole-5-carboxylate Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=NC(=C(S2)C(=O)[O-])C)OCC[NH+](C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=NC(=C(S2)C(=O)[O-])C)OCC[NH+](C)C

InChI

InChI=1S/C17H22N2O4S/c1-5-22-14-10-12(6-7-13(14)23-9-8-19(3)4)16-18-11(2)15(24-16)17(20)21/h6-7,10H,5,8-9H2,1-4H3,(H,20,21)