(4-phenylphenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: (4-phenylphenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: (4-phenylphenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid (4-phenylphenyl)methyl ester IUPAC Name: (4-phenylphenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid (4-phenylbenzyl) ester Formula: C22H17NO2S2 MolecularWeight: 391.50588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)COC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)COC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H17NO2S2/c24-21(15-26-22-23-19-8-4-5-9-20(19)27-22)25-14-16-10-12-18(13-11-16)17-6-2-1-3-7-17/h1-13H,14-15H2