[(2R)-oxolan-2-yl]methyl 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [(2R)-oxolan-2-yl]methyl 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [(2R)-tetrahydrofuran-2-yl]methyl 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]benzoic acid [(2R)-2-oxolanyl]methyl ester IUPAC Name: [(2R)-oxolan-2-yl]methyl 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]benzoic acid [(2R)-tetrahydrofuran-2-yl]methyl ester Formula: C24H31NO4S MolecularWeight: 429.57224

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1C[C@@H](OC1)COC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H31NO4S/c26-22(25-24-11-16-8-17(12-24)10-18(9-16)13-24)15-30-21-6-2-1-5-20(21)23(27)29-14-19-4-3-7-28-19/h1-2,5-6,16-19H,3-4,7-15H2,(H,25,26)/t16?,17?,18?,19-,24?/m1/s1