[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] (2S)-2-benzamidopropanoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] (2S)-2-benzamidopropanoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NCCCSC1=CC=CC=C1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NCCCSC1=CC=CC=C1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H24N2O4S/c1-16(23-20(25)17-9-4-2-5-10-17)21(26)27-15-19(24)22-13-8-14-28-18-11-6-3-7-12-18/h2-7,9-12,16H,8,13-15H2,1H3,(H,22,24)(H,23,25)/t16-/m0/s1