[(1S)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [(1S)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [(1S)-2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [(1S)-2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(C1=CC=CC=C1)OC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CN(C)C(=O)[C@H](C1=CC=CC=C1)OC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H20N2O3S/c1-22(2)20(24)19(14-8-4-3-5-9-14)25-18(23)13-12-17-21-15-10-6-7-11-16(15)26-17/h3-11,19H,12-13H2,1-2H3/t19-/m0/s1