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

Systemtic Name: [(2R)-1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: [(1R)-2-(2-methoxyethylamino)-1-methyl-2-oxo-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid [(1R)-2-keto-2-(2-methoxyethylamino)-1-methyl-ethyl] ester Formula: C17H22N2O4S2 MolecularWeight: 382.49758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4S2/c1-12(16(21)18-9-10-22-2)23-15(20)8-5-11-24-17-19-13-6-3-4-7-14(13)25-17/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,18,21)/t12-/m1/s1