[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]benzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]benzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C26H36N2O4S MolecularWeight: 472.64004

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C26H36N2O4S/c1-3-20(4-2)27-23(29)15-32-25(31)21-7-5-6-8-22(21)33-16-24(30)28-26-12-17-9-18(13-26)11-19(10-17)14-26/h5-8,17-20H,3-4,9-16H2,1-2H3,(H,27,29)(H,28,30)