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

Systemtic Name: 2-[3-[2-(diethylazaniumyl)ethoxy]-4-methoxy-phenyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[3-[2-(diethylammonio)ethoxy]-4-methoxy-phenyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[3-[2-(diethylammonio)ethoxy]-4-methoxyphenyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[3-[2-(diethylazaniumyl)ethoxy]-4-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-[2-(diethylammonio)ethoxy]-4-methoxy-phenyl]-4-methyl-thiazole-5-carboxylate Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4S/c1-5-20(6-2)9-10-24-15-11-13(7-8-14(15)23-4)17-19-12(3)16(25-17)18(21)22/h7-8,11H,5-6,9-10H2,1-4H3,(H,21,22)