ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate CAS Name: 2-[[3-(4-tert-butylphenyl)-1-oxopropyl]amino]-4-(4-fluorophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate Traditional Name: 2-[3-(4-tert-butylphenyl)propanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C26H28FNO3S MolecularWeight: 453.568823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C26H28FNO3S/c1-5-31-25(30)23-21(18-9-13-20(27)14-10-18)16-32-24(23)28-22(29)15-8-17-6-11-19(12-7-17)26(2,3)4/h6-7,9-14,16H,5,8,15H2,1-4H3,(H,28,29)