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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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