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

Systemtic Name: [2-[ethanoyl-(3-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-(N-acetyl-3-methyl-anilino)thiazol-4-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-(N-acetyl-3-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-3-methylanilino)-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-methyl-anilino)thiazol-4-yl]methyl ester Formula: C19H17N3O4S MolecularWeight: 383.42098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O4S/c1-13-4-3-5-17(10-13)22(14(2)23)19-20-16(12-27-19)11-26-18(24)15-6-8-21(25)9-7-15/h3-10,12H,11H2,1-2H3