[(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 5-(1,3-benzothiazol-2-yl)pentanoate

Systemtic Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: [(1R)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid [(2R)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid [(1R)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)OC(=O)CCCCC1=NC2=CC=CC=C2S1

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC(C)(C)C)OC(=O)CCCCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C20H27N3O4S/c1-13(18(25)22-19(26)23-20(2,3)4)27-17(24)12-8-7-11-16-21-14-9-5-6-10-15(14)28-16/h5-6,9-10,13H,7-8,11-12H2,1-4H3,(H2,22,23,25,26)/t13-/m1/s1