2-ethylhexyl 2-[4-(2-methyl-2-piperidin-1-yl-propanoyl)phenyl]sulfanylethanoate

Systemtic Name: 2-ethylhexyl 2-[4-(2-methyl-2-piperidin-1-yl-propanoyl)phenyl]sulfanylethanoate Openeye Name: 2-ethylhexyl 2-[4-[2-methyl-2-(1-piperidyl)propanoyl]phenyl]sulfanylacetate CAS Name: 2-[[4-[2-methyl-1-oxo-2-(1-piperidinyl)propyl]phenyl]thio]acetic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 2-[4-(2-methyl-2-piperidin-1-ylpropanoyl)phenyl]sulfanylacetate Traditional Name: 2-[[4-(2-methyl-2-piperidino-propanoyl)phenyl]thio]acetic acid 2-ethylhexyl ester Formula: C25H39NO3S MolecularWeight: 433.64706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)CSC1=CC=C(C=C1)C(=O)C(C)(C)N2CCCCC2

Isomeric SMILES

CCCCC(CC)COC(=O)CSC1=CC=C(C=C1)C(=O)C(C)(C)N2CCCCC2

InChI

InChI=1S/C25H39NO3S/c1-5-7-11-20(6-2)18-29-23(27)19-30-22-14-12-21(13-15-22)24(28)25(3,4)26-16-9-8-10-17-26/h12-15,20H,5-11,16-19H2,1-4H3