[(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: [(1R)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid [(2R)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid [(1R)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H25N3O4S2 MolecularWeight: 423.5495

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)OC(=O)CCCSC1=NC2=CC=CC=C2S1

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC(C)(C)C)OC(=O)CCCSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C19H25N3O4S2/c1-12(16(24)21-17(25)22-19(2,3)4)26-15(23)10-7-11-27-18-20-13-8-5-6-9-14(13)28-18/h5-6,8-9,12H,7,10-11H2,1-4H3,(H2,21,22,24,25)/t12-/m1/s1