[2-[2-(2-fluorophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: [2-[2-(2-fluorophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: [2-[2-(2-fluorobenzoyl)hydrazino]-2-oxo-ethyl] 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 [2-[[(2-fluorophenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3-methylbut-2-enoylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylic acid [2-[N'-(2-fluorobenzoyl)hydrazino]-2-keto-ethyl] ester Formula: C25H22FN3O5S MolecularWeight: 495.522683

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC(=O)NNC(=O)C3=CC=CC=C3F)C

Isomeric SMILES

CC(=CC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC(=O)NNC(=O)C3=CC=CC=C3F)C

InChI

InChI=1S/C25H22FN3O5S/c1-15(2)12-20(30)27-24-22(18(14-35-24)16-8-4-3-5-9-16)25(33)34-13-21(31)28-29-23(32)17-10-6-7-11-19(17)26/h3-12,14H,13H2,1-2H3,(H,27,30)(H,28,31)(H,29,32)