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

Systemtic Name: (2-cyanophenyl)methyl 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: (2-cyanophenyl)methyl 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid (2-cyanobenzyl) ester Formula: C19H16N2O2S MolecularWeight: 336.40754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)CCCC2=NC3=CC=CC=C3S2)C#N

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)CCCC2=NC3=CC=CC=C3S2)C#N

InChI

InChI=1S/C19H16N2O2S/c20-12-14-6-1-2-7-15(14)13-23-19(22)11-5-10-18-21-16-8-3-4-9-17(16)24-18/h1-4,6-9H,5,10-11,13H2