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

Systemtic Name: 3-cyanopropyl 2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 3-cyanopropyl 2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(4-fluoroanilino)-2-oxoethyl]thio]benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]benzoic acid 3-cyanopropyl ester Formula: C19H17FN2O3S MolecularWeight: 372.413283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17FN2O3S/c20-14-7-9-15(10-8-14)22-18(23)13-26-17-6-2-1-5-16(17)19(24)25-12-4-3-11-21/h1-2,5-10H,3-4,12-13H2,(H,22,23)