ethyl 2-[(4-ethoxyphenyl)amino]-3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-5-carboxylate

Systemtic Name: ethyl 2-[(4-ethoxyphenyl)amino]-3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-5-carboxylate Openeye Name: ethyl 2-(4-ethoxyanilino)-3-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-5-carboxylate CAS Name: 2-(4-ethoxyanilino)-3-(2-hydroxyethyl)-4-methyl-5-thiazol-3-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-ethoxyanilino)-3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-5-carboxylate Traditional Name: 3-(2-hydroxyethyl)-4-methyl-2-(p-phenetidino)thiazol-3-ium-5-carboxylic acid ethyl ester Formula: C17H23N2O4S+ MolecularWeight: 351.44052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=[N+](C(=C(S2)C(=O)OCC)C)CCO

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=[N+](C(=C(S2)C(=O)OCC)C)CCO

InChI

InChI=1S/C17H22N2O4S/c1-4-22-14-8-6-13(7-9-14)18-17-19(10-11-20)12(3)15(24-17)16(21)23-5-2/h6-9,20H,4-5,10-11H2,1-3H3/p+1