(3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-oxo-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-[[(2R)-2-oxolanyl]methylamino]ethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C20H27NO5S MolecularWeight: 393.49708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NCC2CCCO2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC[C@H]2CCCO2

InChI

InChI=1S/C20H27NO5S/c1-20(2,3)17(22)12-26-19(24)15-8-4-5-9-16(15)27-13-18(23)21-11-14-7-6-10-25-14/h4-5,8-9,14H,6-7,10-13H2,1-3H3,(H,21,23)/t14-/m1/s1