ethyl 5-(phenylmethyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-(phenylmethyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate CAS Name: 2-[(1-oxo-3-phenylprop-2-ynyl)amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(3-phenylpropioloyl)amino]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(=C1)CC2=CC=CC=C2)NC(=O)C#CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=O)C#CC3=CC=CC=C3

InChI

InChI=1S/C23H19NO3S/c1-2-27-23(26)20-16-19(15-18-11-7-4-8-12-18)28-22(20)24-21(25)14-13-17-9-5-3-6-10-17/h3-12,16H,2,15H2,1H3,(H,24,25)