methyl 5-[(3S)-3-(2-methylsulfanylphenyl)carbonylpiperidin-1-yl]-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[(3S)-3-(2-methylsulfanylphenyl)carbonylpiperidin-1-yl]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[(3S)-3-(2-methylsulfanylbenzoyl)-1-piperidyl]-5-oxo-pentanoate CAS Name: 5-[(3S)-3-[[2-(methylthio)phenyl]-oxomethyl]-1-piperidinyl]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[(3S)-3-(2-methylsulfanylbenzoyl)piperidin-1-yl]-5-oxopentanoate Traditional Name: 5-keto-5-[(3S)-3-[2-(methylthio)benzoyl]piperidino]valeric acid methyl ester Formula: C19H25NO4S MolecularWeight: 363.4711

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)CCCC(=O)N1CCC[C@@H](C1)C(=O)C2=CC=CC=C2SC

InChI

InChI=1S/C19H25NO4S/c1-24-18(22)11-5-10-17(21)20-12-6-7-14(13-20)19(23)15-8-3-4-9-16(15)25-2/h3-4,8-9,14H,5-7,10-13H2,1-2H3/t14-/m0/s1