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

Systemtic Name: [(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: [(1R)-2-anilino-1-methyl-2-oxo-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid [(2R)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-anilino-1-oxopropan-2-yl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid [(1R)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1)OC(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H20N2O3S2/c1-14(19(24)21-15-8-3-2-4-9-15)25-18(23)12-7-13-26-20-22-16-10-5-6-11-17(16)27-20/h2-6,8-11,14H,7,12-13H2,1H3,(H,21,24)/t14-/m1/s1