5-methyl-2-[3-(4-methylphenyl)propanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: 5-methyl-2-[3-(4-methylphenyl)propanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: 5-methyl-4-phenyl-2-[3-(p-tolyl)propanoylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[3-(4-methylphenyl)-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylate IUPAC Name: 5-methyl-2-[3-(4-methylphenyl)propanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[3-(p-tolyl)propanoylamino]-3-thenoate Formula: C22H20NO3S- MolecularWeight: 378.4641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)[O-]

InChI

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