[2-[ethanoyl-(4-ethylphenyl)amino]-1,3-thiazol-4-yl]methyl 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[ethanoyl-(4-ethylphenyl)amino]-1,3-thiazol-4-yl]methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-(N-acetyl-4-ethyl-anilino)thiazol-4-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-(N-acetyl-4-ethylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-4-ethylanilino)-1,3-thiazol-4-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-(N-acetyl-4-ethyl-anilino)thiazol-4-yl]methyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(C2=NC(=CS2)COC(=O)C3=CC=[N+](C=C3)[O-])C(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)N(C2=NC(=CS2)COC(=O)C3=CC=[N+](C=C3)[O-])C(=O)C

InChI

InChI=1S/C20H19N3O4S/c1-3-15-4-6-18(7-5-15)23(14(2)24)20-21-17(13-28-20)12-27-19(25)16-8-10-22(26)11-9-16/h4-11,13H,3,12H2,1-2H3