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

Systemtic Name: methyl 2-benzamido-4-[8-(2-methylsulfanylpyridin-3-yl)carbonyl-3,8-diazaspiro[4.5]decan-3-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 2-benzamido-4-[8-(2-methylsulfanylpyridine-3-carbonyl)-3,8-diazaspiro[4.5]decan-3-yl]-4-oxo-butanoate CAS Name: 2-benzamido-4-[8-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-3,8-diazaspiro[4.5]decan-3-yl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 2-benzamido-4-[8-(2-methylsulfanylpyridine-3-carbonyl)-3,8-diazaspiro[4.5]decan-3-yl]-4-oxobutanoate Traditional Name: 2-benzamido-4-keto-4-[8-[2-(methylthio)nicotinoyl]-3,8-diazaspiro[4.5]decan-3-yl]butyric acid methyl ester Formula: C27H32N4O5S MolecularWeight: 524.63178

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=O)N1CCC2(C1)CCN(CC2)C(=O)C3=C(N=CC=C3)SC)NC(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C(CC(=O)N1CCC2(C1)CCN(CC2)C(=O)C3=C(N=CC=C3)SC)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H32N4O5S/c1-36-26(35)21(29-23(33)19-7-4-3-5-8-19)17-22(32)31-16-12-27(18-31)10-14-30(15-11-27)25(34)20-9-6-13-28-24(20)37-2/h3-9,13,21H,10-12,14-18H2,1-2H3,(H,29,33)