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cyanomethyl 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate

cyanomethyl 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate

Systemtic Name:cyanomethyl 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate
Openeye Name:cyanomethyl 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylate
CAS Name:1-(1,3-benzothiazol-2-ylmethyl)-1-cyclohexanecarboxylic acid cyanomethyl ester
IUPAC Name:cyanomethyl 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate
Traditional Name:1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylic acid cyanomethyl ester
Formula: C17H18N2O2S
MolecularWeight: 314.40202
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H18N2O2S/c18-10-11-21-16(20)17(8-4-1-5-9-17)12-15-19-13-6-2-3-7-14(13)22-15/h2-3,6-7H,1,4-5,8-9,11-12H2


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