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

Systemtic Name: methyl 5-(phenylmethyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 5-benzyl-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(3-phenylpropioloyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C22H17NO3S MolecularWeight: 375.44028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17NO3S/c1-26-22(25)19-15-18(14-17-10-6-3-7-11-17)27-21(19)23-20(24)13-12-16-8-4-2-5-9-16/h2-11,15H,14H2,1H3,(H,23,24)