(4-cyanophenyl)methyl 1,3-benzothiazole-6-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 1,3-benzothiazole-6-carboxylate Openeye Name: (4-cyanophenyl)methyl 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid (4-cyanobenzyl) ester Formula: C16H10N2O2S MolecularWeight: 294.3278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)C2=CC3=C(C=C2)N=CS3)C#N

Isomeric SMILES

C1=CC(=CC=C1COC(=O)C2=CC3=C(C=C2)N=CS3)C#N

InChI

InChI=1S/C16H10N2O2S/c17-8-11-1-3-12(4-2-11)9-20-16(19)13-5-6-14-15(7-13)21-10-18-14/h1-7,10H,9H2