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

Systemtic Name: ethyl 4-[5-bromanyl-2-(4-methylsulfanylphenoxy)phenyl]-1-(2-methylbut-3-en-2-yl)piperidine-4-carboxylate Openeye Name: ethyl 4-[5-bromo-2-(4-methylsulfanylphenoxy)phenyl]-1-(1,1-dimethylallyl)piperidine-4-carboxylate CAS Name: 4-[5-bromo-2-[4-(methylthio)phenoxy]phenyl]-1-(2-methylbut-3-en-2-yl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-bromo-2-(4-methylsulfanylphenoxy)phenyl]-1-(2-methylbut-3-en-2-yl)piperidine-4-carboxylate Traditional Name: 4-[5-bromo-2-[4-(methylthio)phenoxy]phenyl]-1-(1,1-dimethylallyl)isonipecotic acid ethyl ester Formula: C26H32BrNO3S MolecularWeight: 518.50618

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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)OC3=CC=C(C=C3)SC

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(C)(C)C=C)C2=C(C=CC(=C2)Br)OC3=CC=C(C=C3)SC

InChI

InChI=1S/C26H32BrNO3S/c1-6-25(3,4)28-16-14-26(15-17-28,24(29)30-7-2)22-18-19(27)8-13-23(22)31-20-9-11-21(32-5)12-10-20/h6,8-13,18H,1,7,14-17H2,2-5H3