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

Systemtic Name: diethyl (2S)-2-[[4-[2-(ethanoylsulfanylmethyl)cyclobutyl]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[4-[2-(acetylsulfanylmethyl)cyclobutyl]benzoyl]amino]pentanedioate CAS Name: (2S)-2-[[[4-[2-[(acetylthio)methyl]cyclobutyl]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[4-[2-(acetylsulfanylmethyl)cyclobutyl]benzoyl]amino]pentanedioate Traditional Name: (2S)-2-[[4-[2-[(acetylthio)methyl]cyclobutyl]benzoyl]amino]glutaric acid diethyl ester Formula: C23H31NO6S MolecularWeight: 449.56034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)C2CCC2CSC(=O)C

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)C2CCC2CSC(=O)C

InChI

InChI=1S/C23H31NO6S/c1-4-29-21(26)13-12-20(23(28)30-5-2)24-22(27)17-8-6-16(7-9-17)19-11-10-18(19)14-31-15(3)25/h6-9,18-20H,4-5,10-14H2,1-3H3,(H,24,27)/t18?,19?,20-/m0/s1