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

Systemtic Name: (1Z)-1-[3-[(1E)-cycloocten-1-yl]-1,3-benzothiazol-2-ylidene]hexan-2-one Openeye Name: (1Z)-1-[3-[(1E)-cycloocten-1-yl]-1,3-benzothiazol-2-ylidene]hexan-2-one CAS Name: (1Z)-1-[3-[(1E)-1-cyclooctenyl]-1,3-benzothiazol-2-ylidene]-2-hexanone IUPAC Name: (1Z)-1-[3-[(1E)-cycloocten-1-yl]-1,3-benzothiazol-2-ylidene]hexan-2-one Traditional Name: (1Z)-1-[3-[(1E)-cycloocten-1-yl]-1,3-benzothiazol-2-ylidene]hexan-2-one Formula: C21H27NOS MolecularWeight: 341.51018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NOS/c1-2-3-13-18(23)16-21-22(17-11-7-5-4-6-8-12-17)19-14-9-10-15-20(19)24-21/h9-11,14-16H,2-8,12-13H2,1H3/b17-11+,21-16-