pyridin-2-ylmethyl 2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: pyridin-2-ylmethyl 2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 2-pyridylmethyl 2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(4-fluoroanilino)-2-oxoethyl]thio]benzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]benzoic acid 2-pyridylmethyl ester Formula: C21H17FN2O3S MolecularWeight: 396.434683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=CC=CC=N2)SCC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CC=CC=N2)SCC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H17FN2O3S/c22-15-8-10-16(11-9-15)24-20(25)14-28-19-7-2-1-6-18(19)21(26)27-13-17-5-3-4-12-23-17/h1-12H,13-14H2,(H,24,25)