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

Systemtic Name: [(1S)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [(1S)-2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [(1S)-2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(C1=CC=CC=C1)OC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CN(C)C(=O)[C@H](C1=CC=CC=C1)OC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O3S/c1-23(2)21(25)20(15-9-4-3-5-10-15)26-19(24)14-8-13-18-22-16-11-6-7-12-17(16)27-18/h3-7,9-12,20H,8,13-14H2,1-2H3/t20-/m0/s1