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

Systemtic Name: 2-[3-[2-(diethylazaniumyl)ethoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[3-[2-(diethylammonio)ethoxy]phenyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[3-[2-(diethylammonio)ethoxy]phenyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[3-[2-(diethylazaniumyl)ethoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-[2-(diethylammonio)ethoxy]phenyl]-4-methyl-thiazole-5-carboxylate Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3S/c1-4-19(5-2)9-10-22-14-8-6-7-13(11-14)16-18-12(3)15(23-16)17(20)21/h6-8,11H,4-5,9-10H2,1-3H3,(H,20,21)