cyanomethyl 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]ethanoate

Systemtic Name: cyanomethyl 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]ethanoate Openeye Name: cyanomethyl 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]acetate CAS Name: 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]acetic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]acetate Traditional Name: 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]acetic acid cyanomethyl ester Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC2=NC3=CC=CC=C3S2)CC(=O)OCC#N

Isomeric SMILES

C1CCC(CC1)(CC2=NC3=CC=CC=C3S2)CC(=O)OCC#N

InChI

InChI=1S/C18H20N2O2S/c19-10-11-22-17(21)13-18(8-4-1-5-9-18)12-16-20-14-6-2-3-7-15(14)23-16/h2-3,6-7H,1,4-5,8-9,11-13H2