ethyl 4-(4-ethoxyphenyl)-5-methyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-ethoxyphenyl)-5-methyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-ethoxyphenyl)-5-methyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate CAS Name: 4-(4-ethoxyphenyl)-5-methyl-2-[(1-oxo-3-phenylprop-2-ynyl)amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethoxyphenyl)-5-methyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-2-[(3-phenylpropioloyl)amino]-4-p-phenetyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H23NO4S MolecularWeight: 433.51942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OCC)NC(=O)C#CC3=CC=CC=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OCC)NC(=O)C#CC3=CC=CC=C3)C

InChI

InChI=1S/C25H23NO4S/c1-4-29-20-14-12-19(13-15-20)22-17(3)31-24(23(22)25(28)30-5-2)26-21(27)16-11-18-9-7-6-8-10-18/h6-10,12-15H,4-5H2,1-3H3,(H,26,27)