5-phenyl-4-(phenylmethyl)-2-(propanoylamino)thiophene-3-carboxylate

Systemtic Name: 5-phenyl-4-(phenylmethyl)-2-(propanoylamino)thiophene-3-carboxylate Openeye Name: 4-benzyl-5-phenyl-2-(propanoylamino)thiophene-3-carboxylate CAS Name: 2-(1-oxopropylamino)-5-phenyl-4-(phenylmethyl)-3-thiophenecarboxylate IUPAC Name: 4-benzyl-5-phenyl-2-(propanoylamino)thiophene-3-carboxylate Traditional Name: 4-benzyl-5-phenyl-2-propionamido-3-thenoate Formula: C21H18NO3S- MolecularWeight: 364.43752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=C(S1)C2=CC=CC=C2)CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CCC(=O)NC1=C(C(=C(S1)C2=CC=CC=C2)CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C21H19NO3S/c1-2-17(23)22-20-18(21(24)25)16(13-14-9-5-3-6-10-14)19(26-20)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,22,23)(H,24,25)/p-1