[2-[[(R)-(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[[(R)-(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[[(R)-(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-[[(R)-(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-keto-ethyl] ester Formula: C20H17FN2O3S2 MolecularWeight: 416.488983

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)N[C@H](C2=CC=C(C=C2)F)C3=CC=CS3

InChI

InChI=1S/C20H17FN2O3S2/c1-27-19-15(4-2-10-22-19)20(25)26-12-17(24)23-18(16-5-3-11-28-16)13-6-8-14(21)9-7-13/h2-11,18H,12H2,1H3,(H,23,24)/t18-/m1/s1