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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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