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

Systemtic Name: [2-oxidanylidene-2-[phenethyl(thiophen-2-ylmethyl)amino]ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-oxo-2-[phenethyl(2-thienylmethyl)amino]ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-oxo-2-[phenethyl(thiophen-2-ylmethyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[phenethyl(thiophen-2-ylmethyl)amino]ethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-keto-2-[phenethyl(2-thenyl)amino]ethyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4S/c24-20(16-27-21(25)19-10-4-5-12-23(19)26)22(15-18-9-6-14-28-18)13-11-17-7-2-1-3-8-17/h1-10,12,14H,11,13,15-16H2