6-fluoranyl-5-isocyanato-3-propan-2-yl-1,3-benzothiazol-2-one

Systemtic Name: 6-fluoranyl-5-isocyanato-3-propan-2-yl-1,3-benzothiazol-2-one Openeye Name: 6-fluoro-5-isocyanato-3-isopropyl-1,3-benzothiazol-2-one CAS Name: 6-fluoro-5-isocyanato-3-propan-2-yl-1,3-benzothiazol-2-one IUPAC Name: 6-fluoro-5-isocyanato-3-propan-2-yl-1,3-benzothiazol-2-one Traditional Name: 6-fluoro-5-isocyanato-3-isopropyl-1,3-benzothiazol-2-one Formula: C11H9FN2O2S MolecularWeight: 252.264763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=C(C(=C2)N=C=O)F)SC1=O

Isomeric SMILES

CC(C)N1C2=C(C=C(C(=C2)N=C=O)F)SC1=O

InChI

InChI=1S/C11H9FN2O2S/c1-6(2)14-9-4-8(13-5-15)7(12)3-10(9)17-11(14)16/h3-4,6H,1-2H3