tert-butyl 4-(benzotriazol-1-yl)-4-methylsulfanyl-octanoate

Systemtic Name: tert-butyl 4-(benzotriazol-1-yl)-4-methylsulfanyl-octanoate Openeye Name: tert-butyl 4-(benzotriazol-1-yl)-4-methylsulfanyl-octanoate CAS Name: 4-(1-benzotriazolyl)-4-(methylthio)octanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(benzotriazol-1-yl)-4-methylsulfanyloctanoate Traditional Name: 4-(benzotriazol-1-yl)-4-(methylthio)caprylic acid tert-butyl ester Formula: C19H29N3O2S MolecularWeight: 363.51746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC(=O)OC(C)(C)C)(N1C2=CC=CC=C2N=N1)SC

Isomeric SMILES

CCCCC(CCC(=O)OC(C)(C)C)(N1C2=CC=CC=C2N=N1)SC

InChI

InChI=1S/C19H29N3O2S/c1-6-7-13-19(25-5,14-12-17(23)24-18(2,3)4)22-16-11-9-8-10-15(16)20-21-22/h8-11H,6-7,12-14H2,1-5H3