ethyl 3-[(E)-2-(5-fluoranyl-1,3-benzothiazol-2-yl)ethenyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 3-[(E)-2-(5-fluoranyl-1,3-benzothiazol-2-yl)ethenyl]cyclohexane-1-carboxylate Openeye Name: ethyl 3-[(E)-2-(5-fluoro-1,3-benzothiazol-2-yl)vinyl]cyclohexanecarboxylate CAS Name: 3-[(E)-2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(E)-2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]cyclohexane-1-carboxylate Traditional Name: 3-[(E)-2-(5-fluoro-1,3-benzothiazol-2-yl)vinyl]cyclohexanecarboxylic acid ethyl ester Formula: C18H20FNO2S MolecularWeight: 333.420303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC(C1)C=CC2=NC3=C(S2)C=CC(=C3)F

Isomeric SMILES

CCOC(=O)C1CCCC(C1)/C=C/C2=NC3=C(S2)C=CC(=C3)F

InChI

InChI=1S/C18H20FNO2S/c1-2-22-18(21)13-5-3-4-12(10-13)6-9-17-20-15-11-14(19)7-8-16(15)23-17/h6-9,11-13H,2-5,10H2,1H3/b9-6+