(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C14H10N2O3S2 MolecularWeight: 318.3708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)C(=O)OCC2=CSC(=N2)C3=CSC=C3)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)C(=O)OCC2=CSC(=N2)C3=CSC=C3)[O-]

InChI

InChI=1S/C14H10N2O3S2/c17-14(12-3-1-2-5-16(12)18)19-7-11-9-21-13(15-11)10-4-6-20-8-10/h1-6,8-9H,7H2