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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC(=O)OCCCC)(N1C2=CC=CC=C2N=N1)SC

Isomeric SMILES

CCCC[C@](CCC(=O)OCCCC)(N1C2=CC=CC=C2N=N1)SC

InChI

InChI=1S/C19H29N3O2S/c1-4-6-13-19(25-3,14-12-18(23)24-15-7-5-2)22-17-11-9-8-10-16(17)20-21-22/h8-11H,4-7,12-15H2,1-3H3/t19-/m0/s1