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

Systemtic Name: (5-methoxy-3,3-dimethyl-cyclohexyl) (2Z)-2-cyano-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethanoate Openeye Name: (5-methoxy-3,3-dimethyl-cyclohexyl) (2Z)-2-cyano-2-(3-methyl-1,3-benzothiazol-2-ylidene)acetate CAS Name: (2Z)-2-cyano-2-(3-methyl-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-methyl-1,3-benzothiazol-2-ylidene)acetate Traditional Name: (2Z)-2-cyano-2-(3-methyl-1,3-benzothiazol-2-ylidene)acetic acid (5-methoxy-3,3-dimethyl-cyclohexyl) ester Formula: C20H24N2O3S MolecularWeight: 372.48116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(C1)OC(=O)C(=C2N(C3=CC=CC=C3S2)C)C#N)OC)C

Isomeric SMILES

CC1(CC(CC(C1)OC(=O)/C(=C\2/N(C3=CC=CC=C3S2)C)/C#N)OC)C

InChI

InChI=1S/C20H24N2O3S/c1-20(2)10-13(24-4)9-14(11-20)25-19(23)15(12-21)18-22(3)16-7-5-6-8-17(16)26-18/h5-8,13-14H,9-11H2,1-4H3/b18-15-