diethyl (2S)-2-[[5-(3-ethanoylsulfanylpropyl)-3-ethyl-thiophen-2-yl]carbonylamino]pentanedioate

Systemtic Name: diethyl (2S)-2-[[5-(3-ethanoylsulfanylpropyl)-3-ethyl-thiophen-2-yl]carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[5-(3-acetylsulfanylpropyl)-3-ethyl-thiophene-2-carbonyl]amino]pentanedioate CAS Name: (2S)-2-[[[5-[3-(acetylthio)propyl]-3-ethyl-2-thiophenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[5-(3-acetylsulfanylpropyl)-3-ethylthiophene-2-carbonyl]amino]pentanedioate Traditional Name: (2S)-2-[[5-[3-(acetylthio)propyl]-3-ethyl-thiophene-2-carbonyl]amino]glutaric acid diethyl ester Formula: C21H31NO6S2 MolecularWeight: 457.60394

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1)CCCSC(=O)C)C(=O)NC(CCC(=O)OCC)C(=O)OCC

Isomeric SMILES

CCC1=C(SC(=C1)CCCSC(=O)C)C(=O)N[C@@H](CCC(=O)OCC)C(=O)OCC

InChI

InChI=1S/C21H31NO6S2/c1-5-15-13-16(9-8-12-29-14(4)23)30-19(15)20(25)22-17(21(26)28-7-3)10-11-18(24)27-6-2/h13,17H,5-12H2,1-4H3,(H,22,25)/t17-/m0/s1