[(2R)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [(2R)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [(1R)-2-(4-tert-butylphenyl)-1-methyl-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [(2R)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [(1R)-2-(4-tert-butylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C23H25NO3S MolecularWeight: 395.5145

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO3S/c1-15(22(26)16-9-11-17(12-10-16)23(2,3)4)27-21(25)14-13-20-24-18-7-5-6-8-19(18)28-20/h5-12,15H,13-14H2,1-4H3/t15-/m1/s1