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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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