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

Systemtic Name: (4-cyanophenyl)methyl 4-(1,3-benzothiazol-2-ylamino)butanoate Openeye Name: (4-cyanophenyl)methyl 4-(1,3-benzothiazol-2-ylamino)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylamino)butanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 4-(1,3-benzothiazol-2-ylamino)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylamino)butyric acid (4-cyanobenzyl) ester Formula: C19H17N3O2S MolecularWeight: 351.42218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O2S/c20-12-14-7-9-15(10-8-14)13-24-18(23)6-3-11-21-19-22-16-4-1-2-5-17(16)25-19/h1-2,4-5,7-10H,3,6,11,13H2,(H,21,22)