(phenylmethyl) 2-cyano-2H-1,3-benzothiazole-3-carboxylate

Systemtic Name: (phenylmethyl) 2-cyano-2H-1,3-benzothiazole-3-carboxylate Openeye Name: benzyl 2-cyano-2H-1,3-benzothiazole-3-carboxylate CAS Name: 2-cyano-2H-1,3-benzothiazole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-cyano-2H-1,3-benzothiazole-3-carboxylate Traditional Name: 2-cyano-2H-1,3-benzothiazole-3-carboxylic acid benzyl ester Formula: C16H12N2O2S MolecularWeight: 296.34368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N2C(SC3=CC=CC=C32)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N2C(SC3=CC=CC=C32)C#N

InChI

InChI=1S/C16H12N2O2S/c17-10-15-18(13-8-4-5-9-14(13)21-15)16(19)20-11-12-6-2-1-3-7-12/h1-9,15H,11H2