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

Systemtic Name: [2-[(3-chlorophenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-(N-acetyl-3-chloro-anilino)thiazol-4-yl]methyl 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-(N-acetyl-3-chloroanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-3-chloroanilino)-1,3-thiazol-4-yl]methyl 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-(N-acetyl-3-chloro-anilino)thiazol-4-yl]methyl ester Formula: C18H14ClN3O4S MolecularWeight: 403.83946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN3O4S/c1-12(23)22(15-6-4-5-13(19)9-15)18-20-14(11-27-18)10-26-17(24)16-7-2-3-8-21(16)25/h2-9,11H,10H2,1H3