(1Z)-1-[3-[(1E)-cycloocten-1-yl]-1,3-benzothiazol-2-ylidene]pentan-2-one

Systemtic Name: (1Z)-1-[3-[(1E)-cycloocten-1-yl]-1,3-benzothiazol-2-ylidene]pentan-2-one Openeye Name: (1Z)-1-[3-[(1E)-cycloocten-1-yl]-1,3-benzothiazol-2-ylidene]pentan-2-one CAS Name: (1Z)-1-[3-[(1E)-1-cyclooctenyl]-1,3-benzothiazol-2-ylidene]-2-pentanone IUPAC Name: (1Z)-1-[3-[(1E)-cycloocten-1-yl]-1,3-benzothiazol-2-ylidene]pentan-2-one Traditional Name: (1Z)-1-[3-[(1E)-cycloocten-1-yl]-1,3-benzothiazol-2-ylidene]pentan-2-one Formula: C20H25NOS MolecularWeight: 327.4836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C=C1N(C2=CC=CC=C2S1)C3=CCCCCCC3

Isomeric SMILES

CCCC(=O)/C=C\1/N(C2=CC=CC=C2S1)/C/3=C/CCCCCC3

InChI

InChI=1S/C20H25NOS/c1-2-10-17(22)15-20-21(16-11-6-4-3-5-7-12-16)18-13-8-9-14-19(18)23-20/h8-9,11,13-15H,2-7,10,12H2,1H3/b16-11+,20-15-