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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CCCOC3=C(C=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CCCOC3=C(C=C(C=C3)C)C

InChI

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