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

Systemtic Name: 2-[2-[2-(dimethylazaniumyl)ethoxy]-3-methoxy-phenyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[2-[2-(dimethylammonio)ethoxy]-3-methoxy-phenyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[2-[2-(dimethylammonio)ethoxy]-3-methoxyphenyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[2-[2-(dimethylazaniumyl)ethoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-[2-(dimethylammonio)ethoxy]-3-methoxy-phenyl]-4-methyl-thiazole-5-carboxylate Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=C(C(=CC=C2)OC)OCC[NH+](C)C)C(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C2=C(C(=CC=C2)OC)OCC[NH+](C)C)C(=O)[O-]

InChI

InChI=1S/C16H20N2O4S/c1-10-14(16(19)20)23-15(17-10)11-6-5-7-12(21-4)13(11)22-9-8-18(2)3/h5-7H,8-9H2,1-4H3,(H,19,20)