ethyl 4-(4-phenylphenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-phenylphenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-phenylphenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate CAS Name: 2-[(1-oxo-3-phenylprop-2-ynyl)amino]-4-(4-phenylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-phenylphenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate Traditional Name: 4-(4-phenylphenyl)-2-[(3-phenylpropioloyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C28H21NO3S MolecularWeight: 451.53624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)C#CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C28H21NO3S/c1-2-32-28(31)26-24(23-16-14-22(15-17-23)21-11-7-4-8-12-21)19-33-27(26)29-25(30)18-13-20-9-5-3-6-10-20/h3-12,14-17,19H,2H2,1H3,(H,29,30)