[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-[methyl(thiophen-3-ylmethyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-[methyl(3-thienylmethyl)amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-[methyl(3-thiophenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-keto-2-[methyl(3-thenyl)amino]ethyl] ester Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CSC=C1)C(=O)COC(=O)C2=CC=CC=[N+]2[O-]

Isomeric SMILES

CN(CC1=CSC=C1)C(=O)COC(=O)C2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C14H14N2O4S/c1-15(8-11-5-7-21-10-11)13(17)9-20-14(18)12-4-2-3-6-16(12)19/h2-7,10H,8-9H2,1H3