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

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(2-fluorophenyl)sulfanylethanoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 2-(2-fluorophenyl)sulfanylacetate CAS Name: 2-[(2-fluorophenyl)thio]acetic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate Traditional Name: 2-[(2-fluorophenyl)thio]acetic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN2O4S/c22-16-3-1-2-4-17(16)29-12-19(26)28-11-18(25)23-20(27)24-21-8-13-5-14(9-21)7-15(6-13)10-21/h1-4,13-15H,5-12H2,(H2,23,24,25,27)