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

Systemtic Name: diethyl (2S)-2-[[3-(3-sulfanylpropyl)phenyl]carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[3-(3-sulfanylpropyl)benzoyl]amino]pentanedioate CAS Name: (2S)-2-[[[3-(3-mercaptopropyl)phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[3-(3-sulfanylpropyl)benzoyl]amino]pentanedioate Traditional Name: (2S)-2-[[3-(3-mercaptopropyl)benzoyl]amino]glutaric acid diethyl ester Formula: C19H27NO5S MolecularWeight: 381.48638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO5S/c1-3-24-17(21)11-10-16(19(23)25-4-2)20-18(22)15-9-5-7-14(13-15)8-6-12-26/h5,7,9,13,16,26H,3-4,6,8,10-12H2,1-2H3,(H,20,22)/t16-/m0/s1