[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C18H15FN2O3S MolecularWeight: 358.386703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC(=O)COC(=O)CCSC2=CC=C(C=C2)F

Isomeric SMILES

C1=CC(=CC=C1C#N)NC(=O)COC(=O)CCSC2=CC=C(C=C2)F

InChI

InChI=1S/C18H15FN2O3S/c19-14-3-7-16(8-4-14)25-10-9-18(23)24-12-17(22)21-15-5-1-13(11-20)2-6-15/h1-8H,9-10,12H2,(H,21,22)