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

Systemtic Name: 5-methyl-4-(4-methylphenyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Openeye Name: 5-methyl-2-(3-phenylpropanoylamino)-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 5-methyl-4-(4-methylphenyl)-2-[(1-oxo-3-phenylpropyl)amino]-3-thiophenecarboxylate IUPAC Name: 5-methyl-4-(4-methylphenyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Traditional Name: 2-(hydrocinnamoylamino)-5-methyl-4-(p-tolyl)-3-thenoate Formula: C22H20NO3S- MolecularWeight: 378.4641

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC(=C2C(=O)[O-])NC(=O)CCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC(=C2C(=O)[O-])NC(=O)CCC3=CC=CC=C3)C

InChI

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