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

Systemtic Name: diethyl (2S)-2-[[3-ethyl-5-(3-sulfanylpropyl)thiophen-2-yl]carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[3-ethyl-5-(3-sulfanylpropyl)thiophene-2-carbonyl]amino]pentanedioate CAS Name: (2S)-2-[[[3-ethyl-5-(3-mercaptopropyl)-2-thiophenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[3-ethyl-5-(3-sulfanylpropyl)thiophene-2-carbonyl]amino]pentanedioate Traditional Name: (2S)-2-[[3-ethyl-5-(3-mercaptopropyl)thiophene-2-carbonyl]amino]glutaric acid diethyl ester Formula: C19H29NO5S2 MolecularWeight: 415.56726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO5S2/c1-4-13-12-14(8-7-11-26)27-17(13)18(22)20-15(19(23)25-6-3)9-10-16(21)24-5-2/h12,15,26H,4-11H2,1-3H3,(H,20,22)/t15-/m0/s1