2-[2-[4-[2-(diethylazaniumyl)ethoxy]-3-ethoxy-phenyl]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: 2-[2-[4-[2-(diethylazaniumyl)ethoxy]-3-ethoxy-phenyl]-1,3-thiazol-4-yl]ethanoate Openeye Name: 2-[2-[4-[2-(diethylammonio)ethoxy]-3-ethoxy-phenyl]thiazol-4-yl]acetate CAS Name: 2-[2-[4-[2-(diethylammonio)ethoxy]-3-ethoxyphenyl]-4-thiazolyl]acetate IUPAC Name: 2-[2-[4-[2-(diethylazaniumyl)ethoxy]-3-ethoxyphenyl]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[4-[2-(diethylammonio)ethoxy]-3-ethoxy-phenyl]thiazol-4-yl]acetate Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O4S/c1-4-21(5-2)9-10-25-16-8-7-14(11-17(16)24-6-3)19-20-15(13-26-19)12-18(22)23/h7-8,11,13H,4-6,9-10,12H2,1-3H3,(H,22,23)