diethyl 5-(3-phenylprop-2-ynoylamino)-3-propyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-(3-phenylprop-2-ynoylamino)-3-propyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-(3-phenylprop-2-ynoylamino)-3-propyl-thiophene-2,4-dicarboxylate CAS Name: 5-[(1-oxo-3-phenylprop-2-ynyl)amino]-3-propylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(3-phenylprop-2-ynoylamino)-3-propylthiophene-2,4-dicarboxylate Traditional Name: 5-[(3-phenylpropioloyl)amino]-3-propyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1C(=O)OCC)NC(=O)C#CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCC1=C(SC(=C1C(=O)OCC)NC(=O)C#CC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C22H23NO5S/c1-4-10-16-18(21(25)27-5-2)20(29-19(16)22(26)28-6-3)23-17(24)14-13-15-11-8-7-9-12-15/h7-9,11-12H,4-6,10H2,1-3H3,(H,23,24)