[2-[(2,6-dimethylphenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-[(2,6-dimethylphenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-(N-acetyl-2,6-dimethyl-anilino)thiazol-4-yl]methyl 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-(N-acetyl-2,6-dimethylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-(N-acetyl-2,6-dimethyl-anilino)thiazol-4-yl]methyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N(C2=NC(=CS2)COC(=O)C3=CC=CC=[N+]3[O-])C(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)N(C2=NC(=CS2)COC(=O)C3=CC=CC=[N+]3[O-])C(=O)C

InChI

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