(4-cyanophenyl)methyl 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]ethanoate

Systemtic Name: (4-cyanophenyl)methyl 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]ethanoate Openeye Name: (4-cyanophenyl)methyl 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]acetate CAS Name: 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]acetic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]acetate Traditional Name: 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]acetic acid (4-cyanobenzyl) ester Formula: C24H24N2O2S MolecularWeight: 404.52456

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC2=NC3=CC=CC=C3S2)CC(=O)OCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCC(CC1)(CC2=NC3=CC=CC=C3S2)CC(=O)OCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H24N2O2S/c25-16-18-8-10-19(11-9-18)17-28-23(27)15-24(12-4-1-5-13-24)14-22-26-20-6-2-3-7-21(20)29-22/h2-3,6-11H,1,4-5,12-15,17H2