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

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 4-phenoxybutanoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 4-phenoxybutanoate CAS Name: 4-phenoxybutanoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 4-phenoxybutanoate Traditional Name: 4-phenoxybutyric acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCC(=O)OCC(=O)NCCCSC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)OCCCC(=O)OCC(=O)NCCCSC2=CC=CC=C2

InChI

InChI=1S/C21H25NO4S/c23-20(22-14-8-16-27-19-11-5-2-6-12-19)17-26-21(24)13-7-15-25-18-9-3-1-4-10-18/h1-6,9-12H,7-8,13-17H2,(H,22,23)