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

Systemtic Name: cyanomethyl 2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: cyanomethyl 2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(4-fluoroanilino)-2-oxoethyl]thio]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]benzoic acid cyanomethyl ester Formula: C17H13FN2O3S MolecularWeight: 344.360123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC#N)SCC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC#N)SCC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C17H13FN2O3S/c18-12-5-7-13(8-6-12)20-16(21)11-24-15-4-2-1-3-14(15)17(22)23-10-9-19/h1-8H,10-11H2,(H,20,21)