(5-methoxy-3,3-dimethyl-cyclohexyl) (2Z)-2-cyano-2-(3-hexyl-1,3-benzothiazol-2-ylidene)ethanoate

Systemtic Name: (5-methoxy-3,3-dimethyl-cyclohexyl) (2Z)-2-cyano-2-(3-hexyl-1,3-benzothiazol-2-ylidene)ethanoate Openeye Name: (5-methoxy-3,3-dimethyl-cyclohexyl) (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 (5-methoxy-3,3-dimethylcyclohexyl) ester IUPAC Name: (5-methoxy-3,3-dimethylcyclohexyl) (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 (5-methoxy-3,3-dimethyl-cyclohexyl) ester Formula: C25H34N2O3S MolecularWeight: 442.61406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2SC1=C(C#N)C(=O)OC3CC(CC(C3)(C)C)OC

Isomeric SMILES

CCCCCCN\1C2=CC=CC=C2S/C1=C(/C#N)\C(=O)OC3CC(CC(C3)(C)C)OC

InChI

InChI=1S/C25H34N2O3S/c1-5-6-7-10-13-27-21-11-8-9-12-22(21)31-23(27)20(17-26)24(28)30-19-14-18(29-4)15-25(2,3)16-19/h8-9,11-12,18-19H,5-7,10,13-16H2,1-4H3/b23-20-