(4-phenylphenyl)methyl 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: (4-phenylphenyl)methyl 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: (4-phenylphenyl)methyl 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid (4-phenylphenyl)methyl ester IUPAC Name: (4-phenylphenyl)methyl 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid (4-phenylbenzyl) ester Formula: C24H21NO2S MolecularWeight: 387.49404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)COC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)COC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H21NO2S/c26-24(12-6-11-23-25-21-9-4-5-10-22(21)28-23)27-17-18-13-15-20(16-14-18)19-7-2-1-3-8-19/h1-5,7-10,13-16H,6,11-12,17H2