ethyl 4-[5-bromanyl-2-(4-methylthiophen-2-yl)sulfanyl-phenyl]-1-(2-methylbut-3-en-2-yl)piperidine-4-carboxylate

Systemtic Name: ethyl 4-[5-bromanyl-2-(4-methylthiophen-2-yl)sulfanyl-phenyl]-1-(2-methylbut-3-en-2-yl)piperidine-4-carboxylate Openeye Name: ethyl 4-[5-bromo-2-[(4-methyl-2-thienyl)sulfanyl]phenyl]-1-(1,1-dimethylallyl)piperidine-4-carboxylate CAS Name: 4-[5-bromo-2-[(4-methyl-2-thiophenyl)thio]phenyl]-1-(2-methylbut-3-en-2-yl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-bromo-2-(4-methylthiophen-2-yl)sulfanylphenyl]-1-(2-methylbut-3-en-2-yl)piperidine-4-carboxylate Traditional Name: 4-[5-bromo-2-[(4-methyl-2-thienyl)thio]phenyl]-1-(1,1-dimethylallyl)isonipecotic acid ethyl ester Formula: C24H30BrNO2S2 MolecularWeight: 508.5345

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(C)(C)C=C)C2=C(C=CC(=C2)Br)SC3=CC(=CS3)C

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(C)(C)C=C)C2=C(C=CC(=C2)Br)SC3=CC(=CS3)C

InChI

InChI=1S/C24H30BrNO2S2/c1-6-23(4,5)26-12-10-24(11-13-26,22(27)28-7-2)19-15-18(25)8-9-20(19)30-21-14-17(3)16-29-21/h6,8-9,14-16H,1,7,10-13H2,2-5H3