(diphenylmethyl) 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: (diphenylmethyl) 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: benzhydryl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid benzhydryl ester Formula: C24H21NO2S2 MolecularWeight: 419.55904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H21NO2S2/c26-22(16-9-17-28-24-25-20-14-7-8-15-21(20)29-24)27-23(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-8,10-15,23H,9,16-17H2