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

Systemtic Name: diethyl (2S)-2-[[3-methyl-5-(3-oxidanylprop-1-ynyl)thiophen-2-yl]carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[5-(3-hydroxyprop-1-ynyl)-3-methyl-thiophene-2-carbonyl]amino]pentanedioate CAS Name: (2S)-2-[[[5-(3-hydroxyprop-1-ynyl)-3-methyl-2-thiophenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[5-(3-hydroxyprop-1-ynyl)-3-methylthiophene-2-carbonyl]amino]pentanedioate Traditional Name: (2S)-2-[[5-(3-hydroxyprop-1-ynyl)-3-methyl-thiophene-2-carbonyl]amino]glutaric acid diethyl ester Formula: C18H23NO6S MolecularWeight: 381.44332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=C(C=C(S1)C#CCO)C

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO6S/c1-4-24-15(21)9-8-14(18(23)25-5-2)19-17(22)16-12(3)11-13(26-16)7-6-10-20/h11,14,20H,4-5,8-10H2,1-3H3,(H,19,22)/t14-/m0/s1