methyl 4-(2,4-dimethoxyphenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(2,4-dimethoxyphenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(2,4-dimethoxyphenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate CAS Name: 4-(2,4-dimethoxyphenyl)-2-[(1-oxo-3-phenylprop-2-ynyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(2,4-dimethoxyphenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylate Traditional Name: 4-(2,4-dimethoxyphenyl)-2-[(3-phenylpropioloyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C23H19NO5S MolecularWeight: 421.46566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C#CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C#CC3=CC=CC=C3)OC

InChI

InChI=1S/C23H19NO5S/c1-27-16-10-11-17(19(13-16)28-2)18-14-30-22(21(18)23(26)29-3)24-20(25)12-9-15-7-5-4-6-8-15/h4-8,10-11,13-14H,1-3H3,(H,24,25)