diethyl (2S)-2-[[3-ethyl-5-(3-oxidanylprop-1-ynyl)thiophen-2-yl]carbonylamino]pentanedioate

Systemtic Name: diethyl (2S)-2-[[3-ethyl-5-(3-oxidanylprop-1-ynyl)thiophen-2-yl]carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[3-ethyl-5-(3-hydroxyprop-1-ynyl)thiophene-2-carbonyl]amino]pentanedioate CAS Name: (2S)-2-[[[3-ethyl-5-(3-hydroxyprop-1-ynyl)-2-thiophenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[3-ethyl-5-(3-hydroxyprop-1-ynyl)thiophene-2-carbonyl]amino]pentanedioate Traditional Name: (2S)-2-[[3-ethyl-5-(3-hydroxyprop-1-ynyl)thiophene-2-carbonyl]amino]glutaric acid diethyl ester Formula: C19H25NO6S MolecularWeight: 395.4699

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1)C#CCO)C(=O)NC(CCC(=O)OCC)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO6S/c1-4-13-12-14(8-7-11-21)27-17(13)18(23)20-15(19(24)26-6-3)9-10-16(22)25-5-2/h12,15,21H,4-6,9-11H2,1-3H3,(H,20,23)/t15-/m0/s1