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

Systemtic Name: 2-[2-[2-(diethylazaniumyl)ethoxy]-3-methoxy-phenyl]-1,3-thiazole-4-carboxylate Openeye Name: 2-[2-[2-(diethylammonio)ethoxy]-3-methoxy-phenyl]thiazole-4-carboxylate CAS Name: 2-[2-[2-(diethylammonio)ethoxy]-3-methoxyphenyl]-4-thiazolecarboxylate IUPAC Name: 2-[2-[2-(diethylazaniumyl)ethoxy]-3-methoxyphenyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[2-[2-(diethylammonio)ethoxy]-3-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=C1OC)C2=NC(=CS2)C(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCOC1=C(C=CC=C1OC)C2=NC(=CS2)C(=O)[O-]

InChI

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