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

Systemtic Name: [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[[4-(4-methoxyphenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[[4-(4-methoxyphenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(4-methoxyphenyl)-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-(4-methoxyphenyl)thiazol-2-yl]amino]ethyl] ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C18H15N3O5S/c1-25-14-4-2-12(3-5-14)15-11-27-18(19-15)20-16(22)10-26-17(23)13-6-8-21(24)9-7-13/h2-9,11H,10H2,1H3,(H,19,20,22)