1,3-benzothiazol-2-ylmethyl 4-phenylbenzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-phenylbenzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H15NO2S MolecularWeight: 345.4143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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