[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)COC(=O)CSC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CCC1CCCCN1C(=O)COC(=O)CSC2=C(C=C(C=C2)Br)C

InChI

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