2-[3-[2-(diethylazaniumyl)ethoxy]-4-methoxy-phenyl]-1,3-thiazole-4-carboxylate

Systemtic Name: 2-[3-[2-(diethylazaniumyl)ethoxy]-4-methoxy-phenyl]-1,3-thiazole-4-carboxylate Openeye Name: 2-[3-[2-(diethylammonio)ethoxy]-4-methoxy-phenyl]thiazole-4-carboxylate CAS Name: 2-[3-[2-(diethylammonio)ethoxy]-4-methoxyphenyl]-4-thiazolecarboxylate IUPAC Name: 2-[3-[2-(diethylazaniumyl)ethoxy]-4-methoxyphenyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[3-[2-(diethylammonio)ethoxy]-4-methoxy-phenyl]thiazole-4-carboxylate Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC1=C(C=CC(=C1)C2=NC(=CS2)C(=O)[O-])OC

Isomeric SMILES

CC[NH+](CC)CCOC1=C(C=CC(=C1)C2=NC(=CS2)C(=O)[O-])OC

InChI

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