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

Systemtic Name: [2-[[4-(2-methoxy-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[[4-(2-methoxy-2-oxo-ethyl)thiazol-2-yl]amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[[4-(2-methoxy-2-oxoethyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(2-methoxy-2-oxoethyl)-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-(2-keto-2-methoxy-ethyl)thiazol-2-yl]amino]ethyl] ester Formula: C14H13N3O6S MolecularWeight: 351.33452

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CSC(=N1)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

COC(=O)CC1=CSC(=N1)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C14H13N3O6S/c1-22-12(19)6-10-8-24-14(15-10)16-11(18)7-23-13(20)9-2-4-17(21)5-3-9/h2-5,8H,6-7H2,1H3,(H,15,16,18)