methyl 2-fluoranyl-6-[3-fluoranyl-4-[(4-thiophen-2-ylbutanoylamino)methyl]phenyl]benzoate

Systemtic Name: methyl 2-fluoranyl-6-[3-fluoranyl-4-[(4-thiophen-2-ylbutanoylamino)methyl]phenyl]benzoate Openeye Name: methyl 2-fluoro-6-[3-fluoro-4-[[4-(2-thienyl)butanoylamino]methyl]phenyl]benzoate CAS Name: 2-fluoro-6-[3-fluoro-4-[[(1-oxo-4-thiophen-2-ylbutyl)amino]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-fluoro-6-[3-fluoro-4-[(4-thiophen-2-ylbutanoylamino)methyl]phenyl]benzoate Traditional Name: 2-fluoro-6-[3-fluoro-4-[[4-(2-thienyl)butanoylamino]methyl]phenyl]benzoic acid methyl ester Formula: C23H21F2NO3S MolecularWeight: 429.479546

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC=C1F)C2=CC(=C(C=C2)CNC(=O)CCCC3=CC=CS3)F

Isomeric SMILES

COC(=O)C1=C(C=CC=C1F)C2=CC(=C(C=C2)CNC(=O)CCCC3=CC=CS3)F

InChI

InChI=1S/C23H21F2NO3S/c1-29-23(28)22-18(7-3-8-19(22)24)15-10-11-16(20(25)13-15)14-26-21(27)9-2-5-17-6-4-12-30-17/h3-4,6-8,10-13H,2,5,9,14H2,1H3,(H,26,27)