[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 3-cyanobenzoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 3-cyanobenzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C18H16N2O3S/c19-12-14-5-4-6-15(11-14)18(22)23-13-17(21)20-9-10-24-16-7-2-1-3-8-16/h1-8,11H,9-10,13H2,(H,20,21)