[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-(2,6-dimethylpiperidino)-2-keto-ethyl] ester Formula: C18H24BrNO3S MolecularWeight: 414.35706

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)COC(=O)CSC2=C(C=C(C=C2)Br)C)C

Isomeric SMILES

CC1CCCC(N1C(=O)COC(=O)CSC2=C(C=C(C=C2)Br)C)C

InChI

InChI=1S/C18H24BrNO3S/c1-12-9-15(19)7-8-16(12)24-11-18(22)23-10-17(21)20-13(2)5-4-6-14(20)3/h7-9,13-14H,4-6,10-11H2,1-3H3