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

Systemtic Name: propan-2-yl 4-(4-ethoxyphenyl)-5-methyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C26H25NO4S MolecularWeight: 447.546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO4S/c1-5-30-21-14-12-20(13-15-21)23-18(4)32-25(24(23)26(29)31-17(2)3)27-22(28)16-11-19-9-7-6-8-10-19/h6-10,12-15,17H,5H2,1-4H3,(H,27,28)