2-[2-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-[(3-acetyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-[(3-acetyl-2,4,6-trimethylphenyl)methylthio]-1,3-benzothiazol-6-yl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-[(3-acetyl-2,4,6-trimethyl-benzyl)thio]-1,3-benzothiazol-6-yl]-4-nitro-isoindoline-1,3-quinone Formula: C27H21N3O5S2 MolecularWeight: 531.60274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-])C

InChI

InChI=1S/C27H21N3O5S2/c1-13-10-14(2)23(16(4)31)15(3)19(13)12-36-27-28-20-9-8-17(11-22(20)37-27)29-25(32)18-6-5-7-21(30(34)35)24(18)26(29)33/h5-11H,12H2,1-4H3