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CHEBI:760954 - 2-{(3Z)-1-[(1S)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene}acetate

Default Structure
ChEBI IDCHEBI:760954
ChEBI Name2-{(3Z)-1-[(1S)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene}acetate
Stars
Last Modified27 September 2026
Submitterabridge
DownloadsMolfile
FormulaC16H17ClNO4S
Net Charge-1
Average Mass354.835
Monoisotopic Mass354.05723
SMILESCOC(=O)[C@H](c1ccccc1Cl)N1CCC(S)/C(=C\C(=O)[O-])C1
InChIInChI=1S/C16H18ClNO4S/c1-22-16(21)15(11-4-2-3-5-12(11)17)18-7-6-13(23)10(9-18)8-14(19)20/h2-5,8,13,15,23H,6-7,9H2,1H3,(H,19,20)/p-1/b10-8-/t13?,15-/m0/s1
InChIKeyCWUDNVCEAAXNQA-AWGNNQSZSA-M
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2-{(3Z)-1-[(1S)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene}acetate (CHEBI:760954) is a methyl ester (CHEBI:25248)
2-{(3Z)-1-[(1S)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene}acetate (CHEBI:760954) is a monocarboxylic acid anion (CHEBI:35757)
2-{(3Z)-1-[(1S)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene}acetate (CHEBI:760954) is a monochlorobenzenes (CHEBI:83403)
2-{(3Z)-1-[(1S)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene}acetate (CHEBI:760954) is a tertiary amino compound (CHEBI:50996)
2-{(3Z)-1-[(1S)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene}acetate (CHEBI:760954) is a thiol (CHEBI:29256)
UniProt Name  Source
clopidogrel active metaboliteUniProt