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

Systemtic Name: diethyl (2S)-2-[[3-methyl-5-(3-sulfanylpropyl)thiophen-2-yl]carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[3-methyl-5-(3-sulfanylpropyl)thiophene-2-carbonyl]amino]pentanedioate CAS Name: (2S)-2-[[[5-(3-mercaptopropyl)-3-methyl-2-thiophenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[3-methyl-5-(3-sulfanylpropyl)thiophene-2-carbonyl]amino]pentanedioate Traditional Name: (2S)-2-[[5-(3-mercaptopropyl)-3-methyl-thiophene-2-carbonyl]amino]glutaric acid diethyl ester Formula: C18H27NO5S2 MolecularWeight: 401.54068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=C(C=C(S1)CCCS)C

InChI

InChI=1S/C18H27NO5S2/c1-4-23-15(20)9-8-14(18(22)24-5-2)19-17(21)16-12(3)11-13(26-16)7-6-10-25/h11,14,25H,4-10H2,1-3H3,(H,19,21)/t14-/m0/s1