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

Systemtic Name: phenyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: phenyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid phenyl ester IUPAC Name: phenyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid phenyl ester Formula: C17H15NO2S2 MolecularWeight: 329.4365

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H15NO2S2/c19-16(20-13-7-2-1-3-8-13)11-6-12-21-17-18-14-9-4-5-10-15(14)22-17/h1-5,7-10H,6,11-12H2