tert-butyl 4-[(4-methylsulfanyl-1H-indazol-5-yl)oxy]azepane-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-methylsulfanyl-1H-indazol-5-yl)oxy]azepane-1-carboxylate Openeye Name: tert-butyl 4-[(4-methylsulfanyl-1H-indazol-5-yl)oxy]azepane-1-carboxylate CAS Name: 4-[[4-(methylthio)-1H-indazol-5-yl]oxy]-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-methylsulfanyl-1H-indazol-5-yl)oxy]azepane-1-carboxylate Traditional Name: 4-[[4-(methylthio)-1H-indazol-5-yl]oxy]azepane-1-carboxylic acid tert-butyl ester Formula: C19H27N3O3S MolecularWeight: 377.50098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(CC1)OC2=C(C3=C(C=C2)NN=C3)SC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(CC1)OC2=C(C3=C(C=C2)NN=C3)SC

InChI

InChI=1S/C19H27N3O3S/c1-19(2,3)25-18(23)22-10-5-6-13(9-11-22)24-16-8-7-15-14(12-20-21-15)17(16)26-4/h7-8,12-13H,5-6,9-11H2,1-4H3,(H,20,21)