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

Systemtic Name: [(2R)-1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [(1R)-2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [(1R)-2-(4-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C20H18ClNO3S MolecularWeight: 387.87982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClNO3S/c1-13(20(24)14-9-11-15(21)12-10-14)25-19(23)8-4-7-18-22-16-5-2-3-6-17(16)26-18/h2-3,5-6,9-13H,4,7-8H2,1H3/t13-/m1/s1