[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 2-[[(2R)-tetrahydrofuran-2-yl]methylsulfanyl]benzoate CAS Name: 2-[[(2R)-2-oxolanyl]methylthio]benzoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate Traditional Name: 2-[[(2R)-tetrahydrofuran-2-yl]methylthio]benzoic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O5S/c1-14(2)9-10-21-20(25)22-18(23)12-27-19(24)16-7-3-4-8-17(16)28-13-15-6-5-11-26-15/h3-4,7-8,14-15H,5-6,9-13H2,1-2H3,(H2,21,22,23,25)/t15-/m1/s1