[[4-(2-cyanophenyl)phenyl]methyl-propanoyl-amino] 5-azanyl-4-ethyl-2-methyl-thiophene-3-carboxylate

Systemtic Name: [[4-(2-cyanophenyl)phenyl]methyl-propanoyl-amino] 5-azanyl-4-ethyl-2-methyl-thiophene-3-carboxylate Openeye Name: [[4-(2-cyanophenyl)phenyl]methyl-propanoyl-amino] 5-amino-4-ethyl-2-methyl-thiophene-3-carboxylate CAS Name: 5-amino-4-ethyl-2-methyl-3-thiophenecarboxylic acid [[4-(2-cyanophenyl)phenyl]methyl-(1-oxopropyl)amino] ester IUPAC Name: [[4-(2-cyanophenyl)phenyl]methyl-propanoylamino] 5-amino-4-ethyl-2-methylthiophene-3-carboxylate Traditional Name: 5-amino-4-ethyl-2-methyl-thiophene-3-carboxylic acid [[4-(2-cyanophenyl)benzyl]-propionyl-amino] ester Formula: C25H25N3O3S MolecularWeight: 447.5493

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)ON(CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)CC)C)N

Isomeric SMILES

CCC1=C(SC(=C1C(=O)ON(CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)CC)C)N

InChI

InChI=1S/C25H25N3O3S/c1-4-20-23(16(3)32-24(20)27)25(30)31-28(22(29)5-2)15-17-10-12-18(13-11-17)21-9-7-6-8-19(21)14-26/h6-13H,4-5,15,27H2,1-3H3