1,3-benzothiazol-2-ylmethyl 4-(phenylmethyl)benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-(phenylmethyl)benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-benzylbenzoate CAS Name: 4-(phenylmethyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-benzylbenzoate Traditional Name: 4-benzylbenzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C22H17NO2S MolecularWeight: 359.44088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H17NO2S/c24-22(25-15-21-23-19-8-4-5-9-20(19)26-21)18-12-10-17(11-13-18)14-16-6-2-1-3-7-16/h1-13H,14-15H2