(3-fluorophenyl)methyl 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (3-fluorophenyl)methyl 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3-fluorophenyl)methyl 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]benzoic acid (3-fluorophenyl)methyl ester IUPAC Name: (3-fluorophenyl)methyl 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]benzoic acid (3-fluorobenzyl) ester Formula: C26H28FNO3S MolecularWeight: 453.568823

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)OCC5=CC(=CC=C5)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)OCC5=CC(=CC=C5)F

InChI

InChI=1S/C26H28FNO3S/c27-21-5-3-4-17(11-21)15-31-25(30)22-6-1-2-7-23(22)32-16-24(29)28-26-12-18-8-19(13-26)10-20(9-18)14-26/h1-7,11,18-20H,8-10,12-16H2,(H,28,29)