methyl 4-(4-methylphenyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-methylphenyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Openeye Name: methyl 2-(3-phenylpropanoylamino)-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-[(1-oxo-3-phenylpropyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-methylphenyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Traditional Name: 2-(hydrocinnamoylamino)-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H21NO3S/c1-15-8-11-17(12-9-15)18-14-27-21(20(18)22(25)26-2)23-19(24)13-10-16-6-4-3-5-7-16/h3-9,11-12,14H,10,13H2,1-2H3,(H,23,24)