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

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 4-cyanobenzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O3S/c20-13-15-7-9-16(10-8-15)19(23)24-14-18(22)21-11-4-12-25-17-5-2-1-3-6-17/h1-3,5-10H,4,11-12,14H2,(H,21,22)