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(2-cyanophenyl)methyl 5-(1,3-benzothiazol-2-yl)pentanoate

(2-cyanophenyl)methyl 5-(1,3-benzothiazol-2-yl)pentanoate

Systemtic Name:(2-cyanophenyl)methyl 5-(1,3-benzothiazol-2-yl)pentanoate
Openeye Name:(2-cyanophenyl)methyl 5-(1,3-benzothiazol-2-yl)pentanoate
CAS Name:5-(1,3-benzothiazol-2-yl)pentanoic acid (2-cyanophenyl)methyl ester
IUPAC Name:(2-cyanophenyl)methyl 5-(1,3-benzothiazol-2-yl)pentanoate
Traditional Name:5-(1,3-benzothiazol-2-yl)valeric acid (2-cyanobenzyl) ester
Formula: C20H18N2O2S
MolecularWeight: 350.43412
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)CCCCC2=NC3=CC=CC=C3S2)C#N


Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)CCCCC2=NC3=CC=CC=C3S2)C#N


InChI

InChI=1S/C20H18N2O2S/c21-13-15-7-1-2-8-16(15)14-24-20(23)12-6-5-11-19-22-17-9-3-4-10-18(17)25-19/h1-4,7-10H,5-6,11-12,14H2


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