[2-oxidanylidene-2-(phenethylamino)ethyl] 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]benzoic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]benzoic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C29H34N2O4S MolecularWeight: 506.65626

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)OCC(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)OCC(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C29H34N2O4S/c32-26(30-11-10-20-6-2-1-3-7-20)18-35-28(34)24-8-4-5-9-25(24)36-19-27(33)31-29-15-21-12-22(16-29)14-23(13-21)17-29/h1-9,21-23H,10-19H2,(H,30,32)(H,31,33)