[2-[[(R)-(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-[[(R)-(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-[[(R)-(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-[[(R)-(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-keto-ethyl] ester Formula: C19H15FN2O4S MolecularWeight: 386.396803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)C(=O)OCC(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)C(=O)OCC(=O)N[C@H](C2=CC=C(C=C2)F)C3=CC=CS3)[O-]

InChI

InChI=1S/C19H15FN2O4S/c20-14-8-6-13(7-9-14)18(16-5-3-11-27-16)21-17(23)12-26-19(24)15-4-1-2-10-22(15)25/h1-11,18H,12H2,(H,21,23)/t18-/m1/s1