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

Systemtic Name: 2-[3-chloranyl-4-[2-(diethylazaniumyl)ethoxy]-5-methoxy-phenyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[3-chloro-4-[2-(diethylammonio)ethoxy]-5-methoxy-phenyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[3-chloro-4-[2-(diethylammonio)ethoxy]-5-methoxyphenyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[3-chloro-4-[2-(diethylazaniumyl)ethoxy]-5-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-chloro-4-[2-(diethylammonio)ethoxy]-5-methoxy-phenyl]-4-methyl-thiazole-5-carboxylate Formula: C18H23ClN2O4S MolecularWeight: 398.90422

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC1=C(C=C(C=C1Cl)C2=NC(=C(S2)C(=O)[O-])C)OC

Isomeric SMILES

CC[NH+](CC)CCOC1=C(C=C(C=C1Cl)C2=NC(=C(S2)C(=O)[O-])C)OC

InChI

InChI=1S/C18H23ClN2O4S/c1-5-21(6-2)7-8-25-15-13(19)9-12(10-14(15)24-4)17-20-11(3)16(26-17)18(22)23/h9-10H,5-8H2,1-4H3,(H,22,23)