1-[6-fluoranyl-2-oxidanylidene-3-(pyridin-2-ylmethyl)-1,3-benzothiazol-5-yl]-3,4-dimethyl-pyrrole-2,5-dione

Systemtic Name: 1-[6-fluoranyl-2-oxidanylidene-3-(pyridin-2-ylmethyl)-1,3-benzothiazol-5-yl]-3,4-dimethyl-pyrrole-2,5-dione Openeye Name: 1-[6-fluoro-2-oxo-3-(2-pyridylmethyl)-1,3-benzothiazol-5-yl]-3,4-dimethyl-pyrrole-2,5-dione CAS Name: 1-[6-fluoro-2-oxo-3-(2-pyridinylmethyl)-1,3-benzothiazol-5-yl]-3,4-dimethylpyrrole-2,5-dione IUPAC Name: 1-[6-fluoro-2-oxo-3-(pyridin-2-ylmethyl)-1,3-benzothiazol-5-yl]-3,4-dimethylpyrrole-2,5-dione Traditional Name: 1-[6-fluoro-2-keto-3-(2-pyridylmethyl)-1,3-benzothiazol-5-yl]-3,4-dimethyl-3-pyrroline-2,5-quinone Formula: C19H14FN3O3S MolecularWeight: 383.396163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C1=O)C2=C(C=C3C(=C2)N(C(=O)S3)CC4=CC=CC=N4)F)C

Isomeric SMILES

CC1=C(C(=O)N(C1=O)C2=C(C=C3C(=C2)N(C(=O)S3)CC4=CC=CC=N4)F)C

InChI

InChI=1S/C19H14FN3O3S/c1-10-11(2)18(25)23(17(10)24)14-8-15-16(7-13(14)20)27-19(26)22(15)9-12-5-3-4-6-21-12/h3-8H,9H2,1-2H3