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

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [(1R)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [(1R)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [(1R)-2-keto-1-phenyl-2-piperidino-ethyl] ester Formula: C24H26N2O3S MolecularWeight: 422.53984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)OC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(CC1)C(=O)[C@@H](C2=CC=CC=C2)OC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H26N2O3S/c27-22(15-9-14-21-25-19-12-5-6-13-20(19)30-21)29-23(18-10-3-1-4-11-18)24(28)26-16-7-2-8-17-26/h1,3-6,10-13,23H,2,7-9,14-17H2/t23-/m1/s1