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

Systemtic Name: methyl 4-[(3S)-3-(4-methylsulfanylphenyl)carbonylpiperidin-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(3S)-3-(4-methylsulfanylbenzoyl)-1-piperidyl]-4-oxo-butanoate CAS Name: 4-[(3S)-3-[[4-(methylthio)phenyl]-oxomethyl]-1-piperidinyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(3S)-3-(4-methylsulfanylbenzoyl)piperidin-1-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[(3S)-3-[4-(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=C(C=C2)SC

Isomeric SMILES

COC(=O)CCC(=O)N1CCC[C@@H](C1)C(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C18H23NO4S/c1-23-17(21)10-9-16(20)19-11-3-4-14(12-19)18(22)13-5-7-15(24-2)8-6-13/h5-8,14H,3-4,9-12H2,1-2H3/t14-/m0/s1