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

Systemtic Name: methyl 5-ethyl-4-phenyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-4-phenyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate CAS Name: 5-ethyl-2-[(1-oxo-3-phenylprop-2-ynyl)amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-4-phenyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate Traditional Name: 5-ethyl-4-phenyl-2-[(3-phenylpropioloyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C23H19NO3S MolecularWeight: 389.46686

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)NC(=O)C#CC2=CC=CC=C2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=C(S1)NC(=O)C#CC2=CC=CC=C2)C(=O)OC)C3=CC=CC=C3

InChI

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