4-(4-methylphenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylic acid

Systemtic Name: 4-(4-methylphenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylic acid Openeye Name: 2-(3-phenylprop-2-ynoylamino)-4-(p-tolyl)thiophene-3-carboxylic acid CAS Name: 4-(4-methylphenyl)-2-[(1-oxo-3-phenylprop-2-ynyl)amino]-3-thiophenecarboxylic acid IUPAC Name: 4-(4-methylphenyl)-2-(3-phenylprop-2-ynoylamino)thiophene-3-carboxylic acid Traditional Name: 2-[(3-phenylpropioloyl)amino]-4-(p-tolyl)-3-thenoic acid Formula: C21H15NO3S MolecularWeight: 361.4137

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)C#CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)C#CC3=CC=CC=C3

InChI

InChI=1S/C21H15NO3S/c1-14-7-10-16(11-8-14)17-13-26-20(19(17)21(24)25)22-18(23)12-9-15-5-3-2-4-6-15/h2-8,10-11,13H,1H3,(H,22,23)(H,24,25)