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

Systemtic Name: methyl 2-butanoyl-4-[[4-(2-cyanophenyl)phenyl]-methyl-amino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-butanoyl-4-[4-(2-cyanophenyl)-N-methyl-anilino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-[4-(2-cyanophenyl)-N-methylanilino]-5-methyl-2-(1-oxobutyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-butanoyl-4-[4-(2-cyanophenyl)-N-methylanilino]-5-methylthiophene-3-carboxylate Traditional Name: 2-butyryl-4-[4-(2-cyanophenyl)-N-methyl-anilino]-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)C1=C(C(=C(S1)C)N(C)C2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)OC

Isomeric SMILES

CCCC(=O)C1=C(C(=C(S1)C)N(C)C2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)OC

InChI

InChI=1S/C25H24N2O3S/c1-5-8-21(28)24-22(25(29)30-4)23(16(2)31-24)27(3)19-13-11-17(12-14-19)20-10-7-6-9-18(20)15-26/h6-7,9-14H,5,8H2,1-4H3