(4-fluorophenyl)methyl 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: (4-fluorophenyl)methyl 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: (4-fluorophenyl)methyl 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[(3-methyl-1-oxobut-2-enyl)amino]-4-phenyl-3-thiophenecarboxylic acid (4-fluorophenyl)methyl ester IUPAC Name: (4-fluorophenyl)methyl 2-(3-methylbut-2-enoylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylic acid (4-fluorobenzyl) ester Formula: C23H20FNO3S MolecularWeight: 409.473203

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)F)C

Isomeric SMILES

CC(=CC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)F)C

InChI

InChI=1S/C23H20FNO3S/c1-15(2)12-20(26)25-22-21(19(14-29-22)17-6-4-3-5-7-17)23(27)28-13-16-8-10-18(24)11-9-16/h3-12,14H,13H2,1-2H3,(H,25,26)