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

Systemtic Name: 2-oxidanylidenepropyl 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: acetonyl 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]benzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]benzoic acid acetonyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4S/c1-14(24)12-27-21(26)18-4-2-3-5-19(18)28-13-20(25)23-22-9-15-6-16(10-22)8-17(7-15)11-22/h2-5,15-17H,6-13H2,1H3,(H,23,25)