3-[[4-(2-cyanophenyl)phenyl]methyl-propanoyl-amino]-4-ethoxycarbonyl-5-methyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[[4-(2-cyanophenyl)phenyl]methyl-propanoyl-amino]-4-ethoxycarbonyl-5-methyl-thiophene-2-carboxylic acid Openeye Name: 3-[[4-(2-cyanophenyl)phenyl]methyl-propanoyl-amino]-4-ethoxycarbonyl-5-methyl-thiophene-2-carboxylic acid CAS Name: 3-[[4-(2-cyanophenyl)phenyl]methyl-(1-oxopropyl)amino]-4-ethoxycarbonyl-5-methyl-2-thiophenecarboxylic acid IUPAC Name: 3-[[4-(2-cyanophenyl)phenyl]methyl-propanoylamino]-4-ethoxycarbonyl-5-methylthiophene-2-carboxylic acid Traditional Name: 4-carbethoxy-3-[[4-(2-cyanophenyl)benzyl]-propionyl-amino]-5-methyl-2-thenoic acid Formula: C26H24N2O5S MolecularWeight: 476.54416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C3=C(SC(=C3C(=O)OCC)C)C(=O)O

Isomeric SMILES

CCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C3=C(SC(=C3C(=O)OCC)C)C(=O)O

InChI

InChI=1S/C26H24N2O5S/c1-4-21(29)28(23-22(26(32)33-5-2)16(3)34-24(23)25(30)31)15-17-10-12-18(13-11-17)20-9-7-6-8-19(20)14-27/h6-13H,4-5,15H2,1-3H3,(H,30,31)