4-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylidene]-2-(2-fluorophenyl)isoquinoline-1,3-dione

Systemtic Name: 4-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylidene]-2-(2-fluorophenyl)isoquinoline-1,3-dione Openeye Name: 4-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylene]-2-(2-fluorophenyl)isoquinoline-1,3-dione CAS Name: 4-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylidene]-2-(2-fluorophenyl)isoquinoline-1,3-dione IUPAC Name: 4-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylidene]-2-(2-fluorophenyl)isoquinoline-1,3-dione Traditional Name: 4-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylene]-2-(2-fluorophenyl)isoquinoline-1,3-quinone Formula: C25H18FN3O3S MolecularWeight: 459.492123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC=C3C4=CC=CC=C4C(=O)N(C3=O)C5=CC=CC=C5F

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC=C3C4=CC=CC=C4C(=O)N(C3=O)C5=CC=CC=C5F

InChI

InChI=1S/C25H18FN3O3S/c1-2-32-15-11-12-20-22(13-15)33-25(28-20)27-14-18-16-7-3-4-8-17(16)23(30)29(24(18)31)21-10-6-5-9-19(21)26/h3-14H,2H2,1H3,(H,27,28)