[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-(3,5-dimethylpiperidino)-2-keto-ethyl] ester Formula: C18H24BrNO3S MolecularWeight: 414.35706

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)CSC2=C(C=C(C=C2)Br)C)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)COC(=O)CSC2=C(C=C(C=C2)Br)C)C

InChI

InChI=1S/C18H24BrNO3S/c1-12-6-13(2)9-20(8-12)17(21)10-23-18(22)11-24-16-5-4-15(19)7-14(16)3/h4-5,7,12-13H,6,8-11H2,1-3H3