2-[2-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(2-indolin-1-yl-2-oxo-ethyl)sulfanyl-1,3-benzothiazol-6-yl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-[(2-indolin-1-yl-2-keto-ethyl)thio]-1,3-benzothiazol-6-yl]-4-nitro-isoindoline-1,3-quinone Formula: C25H16N4O5S2 MolecularWeight: 516.54834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=O)CSC3=NC4=C(S3)C=C(C=C4)N5C(=O)C6=C(C5=O)C(=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=O)CSC3=NC4=C(S3)C=C(C=C4)N5C(=O)C6=C(C5=O)C(=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C25H16N4O5S2/c30-21(27-11-10-14-4-1-2-6-18(14)27)13-35-25-26-17-9-8-15(12-20(17)36-25)28-23(31)16-5-3-7-19(29(33)34)22(16)24(28)32/h1-9,12H,10-11,13H2