[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-(2-fluorophenyl)sulfanylethanoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-(2-fluorophenyl)sulfanylethanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2-(2-fluorophenyl)sulfanylacetate CAS Name: 2-[(2-fluorophenyl)thio]acetic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate Traditional Name: 2-[(2-fluorophenyl)thio]acetic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C21H26FNO3S MolecularWeight: 391.499443

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)CSC4=CC=CC=C4F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)CSC4=CC=CC=C4F

InChI

InChI=1S/C21H26FNO3S/c22-17-3-1-2-4-18(17)27-12-20(25)26-11-19(24)23-13-21-8-14-5-15(9-21)7-16(6-14)10-21/h1-4,14-16H,5-13H2,(H,23,24)