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

Systemtic Name: ethyl 2-[4-(4-chloranylphenoxy)butanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(4-chlorophenoxy)butanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate CAS Name: 2-[[4-(4-chlorophenoxy)-1-oxobutyl]amino]-4-(4-fluorophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-chlorophenoxy)butanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate Traditional Name: 2-[4-(4-chlorophenoxy)butanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C23H21ClFNO4S MolecularWeight: 461.933543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClFNO4S/c1-2-29-23(28)21-19(15-5-9-17(25)10-6-15)14-31-22(21)26-20(27)4-3-13-30-18-11-7-16(24)8-12-18/h5-12,14H,2-4,13H2,1H3,(H,26,27)