methyl 4-[3-(2-methylsulfanylphenyl)carbonylpiperidin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[3-(2-methylsulfanylphenyl)carbonylpiperidin-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[3-(2-methylsulfanylbenzoyl)-1-piperidyl]-4-oxo-butanoate CAS Name: 4-[3-[[2-(methylthio)phenyl]-oxomethyl]-1-piperidinyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[3-(2-methylsulfanylbenzoyl)piperidin-1-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[3-[2-(methylthio)benzoyl]piperidino]butyric acid methyl ester Formula: C18H23NO4S MolecularWeight: 349.44452

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)N1CCCC(C1)C(=O)C2=CC=CC=C2SC

Isomeric SMILES

COC(=O)CCC(=O)N1CCCC(C1)C(=O)C2=CC=CC=C2SC

InChI

InChI=1S/C18H23NO4S/c1-23-17(21)10-9-16(20)19-11-5-6-13(12-19)18(22)14-7-3-4-8-15(14)24-2/h3-4,7-8,13H,5-6,9-12H2,1-2H3