methyl 2-[4-(2,4-dimethylphenoxy)butanoylamino]-4-(4-fluorophenyl)-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[4-(2,4-dimethylphenoxy)butanoylamino]-4-(4-fluorophenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[4-(2,4-dimethylphenoxy)butanoylamino]-4-(4-fluorophenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[4-(2,4-dimethylphenoxy)-1-oxobutyl]amino]-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(2,4-dimethylphenoxy)butanoylamino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[4-(2,4-dimethylphenoxy)butanoylamino]-4-(4-fluorophenyl)-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C25H26FNO4S MolecularWeight: 455.541643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)F)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)F)C(=O)OC)C

InChI

InChI=1S/C25H26FNO4S/c1-15-7-12-20(16(2)14-15)31-13-5-6-21(28)27-24-23(25(29)30-4)22(17(3)32-24)18-8-10-19(26)11-9-18/h7-12,14H,5-6,13H2,1-4H3,(H,27,28)