(2R)-1-(4-tert-butylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propan-1-one

Systemtic Name: (2R)-1-(4-tert-butylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propan-1-one Openeye Name: (2R)-1-(4-tert-butylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propan-1-one CAS Name: (2R)-1-(4-tert-butylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-propanone IUPAC Name: (2R)-1-(4-tert-butylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propan-1-one Traditional Name: (2R)-1-(4-tert-butylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]propan-1-one Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)C(C)(C)C)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O3S2/c1-12(18(23)13-5-7-14(8-6-13)20(2,3)4)26-19-21-16-10-9-15(22(24)25)11-17(16)27-19/h5-12H,1-4H3/t12-/m1/s1