diethyl (2S)-2-[[4-[2-(sulfanylmethyl)cyclobutyl]phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl (2S)-2-[[4-[2-(sulfanylmethyl)cyclobutyl]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[4-[2-(sulfanylmethyl)cyclobutyl]benzoyl]amino]pentanedioate CAS Name: (2S)-2-[[[4-[2-(mercaptomethyl)cyclobutyl]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[4-[2-(sulfanylmethyl)cyclobutyl]benzoyl]amino]pentanedioate Traditional Name: (2S)-2-[[4-[2-(mercaptomethyl)cyclobutyl]benzoyl]amino]glutaric acid diethyl ester Formula: C21H29NO5S MolecularWeight: 407.52366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)C2CCC2CS

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)C2CCC2CS

InChI

InChI=1S/C21H29NO5S/c1-3-26-19(23)12-11-18(21(25)27-4-2)22-20(24)15-7-5-14(6-8-15)17-10-9-16(17)13-28/h5-8,16-18,28H,3-4,9-13H2,1-2H3,(H,22,24)/t16?,17?,18-/m0/s1