(2-oxidanylidene-2-piperidin-1-yl-ethyl) 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid (2-keto-2-piperidino-ethyl) ester Formula: C17H22BrNO3S MolecularWeight: 400.33048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)N2CCCCC2

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)N2CCCCC2

InChI

InChI=1S/C17H22BrNO3S/c1-12-9-15(13(2)8-14(12)18)23-11-17(21)22-10-16(20)19-6-4-3-5-7-19/h8-9H,3-7,10-11H2,1-2H3