[2-[(4-methoxyphenyl)-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-[(4-methoxyphenyl)-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-[4-methoxy-N-(2-thienylmethyl)anilino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-keto-2-[4-methoxy-N-(2-thenyl)anilino]ethyl] ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC2=CC=CS2)C(=O)COC(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N(CC2=CC=CS2)C(=O)COC(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C20H18N2O5S/c1-26-16-9-7-15(8-10-16)21(13-17-5-4-12-28-17)19(23)14-27-20(24)18-6-2-3-11-22(18)25/h2-12H,13-14H2,1H3