tert-butyl 3-[8-(2-methylsulfanylpyridin-3-yl)carbonyl-3,8-diazaspiro[4.5]decan-3-yl]-3-oxidanylidene-propanoate

Systemtic Name: tert-butyl 3-[8-(2-methylsulfanylpyridin-3-yl)carbonyl-3,8-diazaspiro[4.5]decan-3-yl]-3-oxidanylidene-propanoate Openeye Name: tert-butyl 3-[8-(2-methylsulfanylpyridine-3-carbonyl)-3,8-diazaspiro[4.5]decan-3-yl]-3-oxo-propanoate CAS Name: 3-[8-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-3,8-diazaspiro[4.5]decan-3-yl]-3-oxopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[8-(2-methylsulfanylpyridine-3-carbonyl)-3,8-diazaspiro[4.5]decan-3-yl]-3-oxopropanoate Traditional Name: 3-keto-3-[8-[2-(methylthio)nicotinoyl]-3,8-diazaspiro[4.5]decan-3-yl]propionic acid tert-butyl ester Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O4S/c1-21(2,3)29-18(27)14-17(26)25-13-9-22(15-25)7-11-24(12-8-22)20(28)16-6-5-10-23-19(16)30-4/h5-6,10H,7-9,11-15H2,1-4H3