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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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