[2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 4-cyanobenzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 4-cyanobenzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-oxo-2-[[1-oxo-3-(phenylthio)propyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-keto-2-[3-(phenylthio)propanoylamino]ethyl] ester Formula: C19H16N2O4S MolecularWeight: 368.40634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O4S/c20-12-14-6-8-15(9-7-14)19(24)25-13-18(23)21-17(22)10-11-26-16-4-2-1-3-5-16/h1-9H,10-11,13H2,(H,21,22,23)