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

Systemtic Name: 2-[5-chloranyl-2-[2-(diethylazaniumyl)ethoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[5-chloro-2-[2-(diethylammonio)ethoxy]phenyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[5-chloro-2-[2-(diethylammonio)ethoxy]phenyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[5-chloro-2-[2-(diethylazaniumyl)ethoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[5-chloro-2-[2-(diethylammonio)ethoxy]phenyl]-4-methyl-thiazole-5-carboxylate Formula: C17H21ClN2O3S MolecularWeight: 368.87824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN2O3S/c1-4-20(5-2)8-9-23-14-7-6-12(18)10-13(14)16-19-11(3)15(24-16)17(21)22/h6-7,10H,4-5,8-9H2,1-3H3,(H,21,22)