[2-(phenylmethyl)phenyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-(phenylmethyl)phenyl] 1,3-benzothiazole-6-carboxylate Openeye Name: (2-benzylphenyl) 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-(phenylmethyl)phenyl] ester IUPAC Name: (2-benzylphenyl) 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid (2-benzylphenyl) ester Formula: C21H15NO2S MolecularWeight: 345.4143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC=C2OC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2OC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C21H15NO2S/c23-21(17-10-11-18-20(13-17)25-14-22-18)24-19-9-5-4-8-16(19)12-15-6-2-1-3-7-15/h1-11,13-14H,12H2