diethyl (2S)-2-[[3-(3-ethanoylsulfanylpropyl)phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl (2S)-2-[[3-(3-ethanoylsulfanylpropyl)phenyl]carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[3-(3-acetylsulfanylpropyl)benzoyl]amino]pentanedioate CAS Name: (2S)-2-[[[3-[3-(acetylthio)propyl]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[3-(3-acetylsulfanylpropyl)benzoyl]amino]pentanedioate Traditional Name: (2S)-2-[[3-[3-(acetylthio)propyl]benzoyl]amino]glutaric acid diethyl ester Formula: C21H29NO6S MolecularWeight: 423.52306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC(=CC=C1)CCCSC(=O)C

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC(=CC=C1)CCCSC(=O)C

InChI

InChI=1S/C21H29NO6S/c1-4-27-19(24)12-11-18(21(26)28-5-2)22-20(25)17-10-6-8-16(14-17)9-7-13-29-15(3)23/h6,8,10,14,18H,4-5,7,9,11-13H2,1-3H3,(H,22,25)/t18-/m0/s1