pentyl 8-(2-methylsulfanylpyridin-3-yl)carbonyl-3,8-diazaspiro[4.5]decane-3-carboxylate

Systemtic Name: pentyl 8-(2-methylsulfanylpyridin-3-yl)carbonyl-3,8-diazaspiro[4.5]decane-3-carboxylate Openeye Name: pentyl 8-(2-methylsulfanylpyridine-3-carbonyl)-3,8-diazaspiro[4.5]decane-3-carboxylate CAS Name: 8-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-3,8-diazaspiro[4.5]decane-3-carboxylic acid pentyl ester IUPAC Name: pentyl 8-(2-methylsulfanylpyridine-3-carbonyl)-3,8-diazaspiro[4.5]decane-3-carboxylate Traditional Name: 8-[2-(methylthio)nicotinoyl]-3,8-diazaspiro[4.5]decane-3-carboxylic acid amyl ester Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)N1CCC2(C1)CCN(CC2)C(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CCCCCOC(=O)N1CCC2(C1)CCN(CC2)C(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C21H31N3O3S/c1-3-4-5-15-27-20(26)24-14-10-21(16-24)8-12-23(13-9-21)19(25)17-7-6-11-22-18(17)28-2/h6-7,11H,3-5,8-10,12-16H2,1-2H3