methyl 2-[4-[(5-oxidanylidenecyclopenten-1-yl)sulfanylmethyl]phenyl]ethanoate

Systemtic Name: methyl 2-[4-[(5-oxidanylidenecyclopenten-1-yl)sulfanylmethyl]phenyl]ethanoate Openeye Name: methyl 2-[4-[(5-oxocyclopenten-1-yl)sulfanylmethyl]phenyl]acetate CAS Name: 2-[4-[[(5-oxo-1-cyclopentenyl)thio]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(5-oxocyclopenten-1-yl)sulfanylmethyl]phenyl]acetate Traditional Name: 2-[4-[[(5-ketocyclopenten-1-yl)thio]methyl]phenyl]acetic acid methyl ester Formula: C15H16O3S MolecularWeight: 276.35074

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)CSC2=CCCC2=O

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)CSC2=CCCC2=O

InChI

InChI=1S/C15H16O3S/c1-18-15(17)9-11-5-7-12(8-6-11)10-19-14-4-2-3-13(14)16/h4-8H,2-3,9-10H2,1H3