methyl 2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]thiophene-3-carboxylate CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methyl-(1-oxopentyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoylamino]thiophene-3-carboxylate Traditional Name: 2-[[4-(2-cyanophenyl)benzyl]-valeryl-amino]thiophene-3-carboxylic acid methyl ester Formula: C25H24N2O3S MolecularWeight: 432.53466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C3=C(C=CS3)C(=O)OC

Isomeric SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C3=C(C=CS3)C(=O)OC

InChI

InChI=1S/C25H24N2O3S/c1-3-4-9-23(28)27(24-22(14-15-31-24)25(29)30-2)17-18-10-12-19(13-11-18)21-8-6-5-7-20(21)16-26/h5-8,10-15H,3-4,9,17H2,1-2H3