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

Systemtic Name: (2-cyanophenyl)methyl 1,3-benzothiazole-6-carboxylate Openeye Name: (2-cyanophenyl)methyl 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid (2-cyanobenzyl) ester Formula: C16H10N2O2S MolecularWeight: 294.3278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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