methyl 2-[butanoyl-[[4-(2-cyanophenyl)phenyl]methyl]amino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[butanoyl-[[4-(2-cyanophenyl)phenyl]methyl]amino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[butanoyl-[[4-(2-cyanophenyl)phenyl]methyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methyl-(1-oxobutyl)amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[butanoyl-[[4-(2-cyanophenyl)phenyl]methyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[butyryl-[4-(2-cyanophenyl)benzyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C25H24N2O3S MolecularWeight: 432.53466

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C3=C(C=C(S3)C)C(=O)OC

Isomeric SMILES

CCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C3=C(C=C(S3)C)C(=O)OC

InChI

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