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

Systemtic Name: [(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: [(1R)-2-(tert-butylamino)-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)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid [(1R)-2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H24N2O3S2 MolecularWeight: 380.52476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O3S2/c1-12(16(22)20-18(2,3)4)23-15(21)10-7-11-24-17-19-13-8-5-6-9-14(13)25-17/h5-6,8-9,12H,7,10-11H2,1-4H3,(H,20,22)/t12-/m1/s1