[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CSC2=CC=CC=C2C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1C[C@@H](OC1)CSC2=CC=CC=C2C(=O)OCC(=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)14-29-23(27)20-5-1-2-6-21(20)30-15-19-4-3-7-28-19/h1-2,5-6,16-19H,3-4,7-15H2,(H,25,26)/t16?,17?,18?,19-,24?/m1/s1