[2-(tert-butylamino)-2-oxidanylidene-ethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] 2-[[(2R)-tetrahydrofuran-2-yl]methylsulfanyl]benzoate CAS Name: 2-[[(2R)-2-oxolanyl]methylthio]benzoic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate Traditional Name: 2-[[(2R)-tetrahydrofuran-2-yl]methylthio]benzoic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC(=O)C1=CC=CC=C1SCC2CCCO2

Isomeric SMILES

CC(C)(C)NC(=O)COC(=O)C1=CC=CC=C1SC[C@H]2CCCO2

InChI

InChI=1S/C18H25NO4S/c1-18(2,3)19-16(20)11-23-17(21)14-8-4-5-9-15(14)24-12-13-7-6-10-22-13/h4-5,8-9,13H,6-7,10-12H2,1-3H3,(H,19,20)/t13-/m1/s1