methyl 2-(3-phenylprop-2-ynoylamino)-4-pyridin-3-yl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(3-phenylprop-2-ynoylamino)-4-pyridin-3-yl-thiophene-3-carboxylate Openeye Name: methyl 2-(3-phenylprop-2-ynoylamino)-4-(3-pyridyl)thiophene-3-carboxylate CAS Name: 2-[(1-oxo-3-phenylprop-2-ynyl)amino]-4-(3-pyridinyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-phenylprop-2-ynoylamino)-4-pyridin-3-ylthiophene-3-carboxylate Traditional Name: 2-[(3-phenylpropioloyl)amino]-4-(3-pyridyl)thiophene-3-carboxylic acid methyl ester Formula: C20H14N2O3S MolecularWeight: 362.40176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14N2O3S/c1-25-20(24)18-16(15-8-5-11-21-12-15)13-26-19(18)22-17(23)10-9-14-6-3-2-4-7-14/h2-8,11-13H,1H3,(H,22,23)