[(1R)-1-cyanoethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate

Systemtic Name: [(1R)-1-cyanoethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate Openeye Name: [(1R)-1-cyanoethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclopentanecarboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentanecarboxylic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)cyclopentanecarboxylic acid [(1R)-1-cyanoethyl] ester Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1(CCCC1)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C#N)OC(=O)C1(CCCC1)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H18N2O2S/c1-12(11-18)21-16(20)17(8-4-5-9-17)10-15-19-13-6-2-3-7-14(13)22-15/h2-3,6-7,12H,4-5,8-10H2,1H3/t12-/m1/s1