diethyl 2-[4-(5-thiophen-2-ylpent-3-ynylamino)phenyl]carbonylpropanedioate

Systemtic Name: diethyl 2-[4-(5-thiophen-2-ylpent-3-ynylamino)phenyl]carbonylpropanedioate Openeye Name: diethyl 2-[4-[5-(2-thienyl)pent-3-ynylamino]benzoyl]propanedioate CAS Name: 2-[oxo-[4-(5-thiophen-2-ylpent-3-ynylamino)phenyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[4-(5-thiophen-2-ylpent-3-ynylamino)benzoyl]propanedioate Traditional Name: 2-[4-[5-(2-thienyl)pent-3-ynylamino]benzoyl]malonic acid diethyl ester Formula: C23H25NO5S MolecularWeight: 427.5133

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C1=CC=C(C=C1)NCCC#CCC2=CC=CS2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(=O)C1=CC=C(C=C1)NCCC#CCC2=CC=CS2)C(=O)OCC

InChI

InChI=1S/C23H25NO5S/c1-3-28-22(26)20(23(27)29-4-2)21(25)17-11-13-18(14-12-17)24-15-7-5-6-9-19-10-8-16-30-19/h8,10-14,16,20,24H,3-4,7,9,15H2,1-2H3