2-ethylhexyl (2Z)-2-cyano-2-(3-hexyl-1,3-benzothiazol-2-ylidene)ethanoate

Systemtic Name: 2-ethylhexyl (2Z)-2-cyano-2-(3-hexyl-1,3-benzothiazol-2-ylidene)ethanoate Openeye Name: 2-ethylhexyl (2Z)-2-cyano-2-(3-hexyl-1,3-benzothiazol-2-ylidene)acetate CAS Name: (2Z)-2-cyano-2-(3-hexyl-1,3-benzothiazol-2-ylidene)acetic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl (2Z)-2-cyano-2-(3-hexyl-1,3-benzothiazol-2-ylidene)acetate Traditional Name: (2Z)-2-cyano-2-(3-hexyl-1,3-benzothiazol-2-ylidene)acetic acid 2-ethylhexyl ester Formula: C24H34N2O2S MolecularWeight: 414.60396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2SC1=C(C#N)C(=O)OCC(CC)CCCC

Isomeric SMILES

CCCCCCN\1C2=CC=CC=C2S/C1=C(/C#N)\C(=O)OCC(CC)CCCC

InChI

InChI=1S/C24H34N2O2S/c1-4-7-9-12-16-26-21-14-10-11-15-22(21)29-23(26)20(17-25)24(27)28-18-19(6-3)13-8-5-2/h10-11,14-15,19H,4-9,12-13,16,18H2,1-3H3/b23-20-