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

Systemtic Name: but-2-ynyl 8-(2-methylsulfanylpyridin-3-yl)carbonyl-3,8-diazaspiro[4.5]decane-3-carboxylate Openeye Name: but-2-ynyl 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 but-2-ynyl ester IUPAC Name: but-2-ynyl 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 but-2-ynyl ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S/c1-3-4-14-26-19(25)23-13-9-20(15-23)7-11-22(12-8-20)18(24)16-6-5-10-21-17(16)27-2/h5-6,10H,7-9,11-15H2,1-2H3