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

Systemtic Name: diethyl 2-[[5-(3-ethanoylsulfanylpropyl)-3-methyl-thiophen-2-yl]carbonylamino]pentanedioate Openeye Name: diethyl 2-[[5-(3-acetylsulfanylpropyl)-3-methyl-thiophene-2-carbonyl]amino]pentanedioate CAS Name: 2-[[[5-[3-(acetylthio)propyl]-3-methyl-2-thiophenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[5-(3-acetylsulfanylpropyl)-3-methylthiophene-2-carbonyl]amino]pentanedioate Traditional Name: 2-[[5-[3-(acetylthio)propyl]-3-methyl-thiophene-2-carbonyl]amino]glutaric acid diethyl ester Formula: C20H29NO6S2 MolecularWeight: 443.57736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=C(C=C(S1)CCCSC(=O)C)C

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=C(C=C(S1)CCCSC(=O)C)C

InChI

InChI=1S/C20H29NO6S2/c1-5-26-17(23)10-9-16(20(25)27-6-2)21-19(24)18-13(3)12-15(29-18)8-7-11-28-14(4)22/h12,16H,5-11H2,1-4H3,(H,21,24)