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

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 4-benzamidobutanoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 4-benzamidobutanoate CAS Name: 4-benzamidobutanoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 4-benzamidobutanoate Traditional Name: 4-benzamidobutyric acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c25-20(23-15-8-16-29-19-11-5-2-6-12-19)17-28-21(26)13-7-14-24-22(27)18-9-3-1-4-10-18/h1-6,9-12H,7-8,13-17H2,(H,23,25)(H,24,27)