1-cyanoethyl 2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate

Systemtic Name: 1-cyanoethyl 2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate Openeye Name: 1-cyanoethyl 2-(1,3-benzothiazol-2-yl)cyclohexanecarboxylate CAS Name: 2-(1,3-benzothiazol-2-yl)-1-cyclohexanecarboxylic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate Traditional Name: 2-(1,3-benzothiazol-2-yl)cyclohexanecarboxylic acid 1-cyanoethyl ester Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1CCCCC1C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C#N)OC(=O)C1CCCCC1C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H18N2O2S/c1-11(10-18)21-17(20)13-7-3-2-6-12(13)16-19-14-8-4-5-9-15(14)22-16/h4-5,8-9,11-13H,2-3,6-7H2,1H3