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

Systemtic Name: [(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: [(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid [(1R)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H20N2O3S2 MolecularWeight: 364.4823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O3S2/c1-3-10-18-16(21)12(2)22-15(20)9-6-11-23-17-19-13-7-4-5-8-14(13)24-17/h3-5,7-8,12H,1,6,9-11H2,2H3,(H,18,21)/t12-/m1/s1