[(1S)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: [(1S)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: [(1S)-2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid [(1S)-2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S2/c1-23(2)20(25)19(15-9-4-3-5-10-15)26-18(24)13-8-14-27-21-22-16-11-6-7-12-17(16)28-21/h3-7,9-12,19H,8,13-14H2,1-2H3/t19-/m0/s1