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

Systemtic Name: [(2R)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: [(1R)-2-(2-furylmethylamino)-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-furanylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid [(1R)-2-(2-furfurylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)OC(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CO1)OC(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H20N2O4S2/c1-13(18(23)20-12-14-6-4-10-24-14)25-17(22)9-5-11-26-19-21-15-7-2-3-8-16(15)27-19/h2-4,6-8,10,13H,5,9,11-12H2,1H3,(H,20,23)/t13-/m1/s1