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

Systemtic Name: (4-cyanophenyl)methyl 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: (4-cyanophenyl)methyl 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid (4-cyanobenzyl) ester Formula: C20H18N2O2S MolecularWeight: 350.43412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCCCC(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCCCC(=O)OCC3=CC=C(C=C3)C#N

InChI

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