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

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C16H13FN2O3S2 MolecularWeight: 364.414423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1F)SCCC(=O)OCC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

C1=CC(=CC=C1F)SCCC(=O)OCC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C16H13FN2O3S2/c17-12-1-3-13(4-2-12)23-8-6-15(21)22-10-14(20)19-16-11(9-18)5-7-24-16/h1-5,7H,6,8,10H2,(H,19,20)