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

Systemtic Name: [2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-oxo-2-[[4-(p-tolyl)thiazol-2-yl]amino]ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[[4-(4-methylphenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-keto-2-[[4-(p-tolyl)thiazol-2-yl]amino]ethyl] ester Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C18H15N3O4S/c1-12-2-4-13(5-3-12)15-11-26-18(19-15)20-16(22)10-25-17(23)14-6-8-21(24)9-7-14/h2-9,11H,10H2,1H3,(H,19,20,22)