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

Systemtic Name: ethyl 4-(4-methylphenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate Openeye Name: ethyl 2-(3-phenylprop-2-ynoylamino)-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-[(1-oxo-3-phenylprop-2-ynyl)amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylphenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate Traditional Name: 2-[(3-phenylpropioloyl)amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C23H19NO3S MolecularWeight: 389.46686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C#CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C#CC3=CC=CC=C3

InChI

InChI=1S/C23H19NO3S/c1-3-27-23(26)21-19(18-12-9-16(2)10-13-18)15-28-22(21)24-20(25)14-11-17-7-5-4-6-8-17/h4-10,12-13,15H,3H2,1-2H3,(H,24,25)