[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C18H14ClFN2O3S MolecularWeight: 392.831763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1F)SCCC(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)C#N

Isomeric SMILES

C1=CC(=CC=C1F)SCCC(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)C#N

InChI

InChI=1S/C18H14ClFN2O3S/c19-13-2-1-12(10-21)16(9-13)22-17(23)11-25-18(24)7-8-26-15-5-3-14(20)4-6-15/h1-6,9H,7-8,11H2,(H,22,23)