methyl 2-acetamido-4-[8-(2-methylsulfanylpyridin-3-yl)carbonyl-3,8-diazaspiro[4.5]decan-3-yl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 2-acetamido-4-[8-(2-methylsulfanylpyridin-3-yl)carbonyl-3,8-diazaspiro[4.5]decan-3-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 2-acetamido-4-[8-(2-methylsulfanylpyridine-3-carbonyl)-3,8-diazaspiro[4.5]decan-3-yl]-4-oxo-butanoate CAS Name: 2-acetamido-4-[8-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-3,8-diazaspiro[4.5]decan-3-yl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 2-acetamido-4-[8-(2-methylsulfanylpyridine-3-carbonyl)-3,8-diazaspiro[4.5]decan-3-yl]-4-oxobutanoate Traditional Name: 2-acetamido-4-keto-4-[8-[2-(methylthio)nicotinoyl]-3,8-diazaspiro[4.5]decan-3-yl]butyric acid methyl ester Formula: C22H30N4O5S MolecularWeight: 462.5624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O5S/c1-15(27)24-17(21(30)31-2)13-18(28)26-12-8-22(14-26)6-10-25(11-7-22)20(29)16-5-4-9-23-19(16)32-3/h4-5,9,17H,6-8,10-14H2,1-3H3,(H,24,27)