2-[3-(3-cyclopentyl-2-phenylmethoxy-phenyl)-3-ethylsulfanyl-2-oxidanyl-propoxy]ethanoate

Systemtic Name: 2-[3-(3-cyclopentyl-2-phenylmethoxy-phenyl)-3-ethylsulfanyl-2-oxidanyl-propoxy]ethanoate Openeye Name: 2-[3-(2-benzyloxy-3-cyclopentyl-phenyl)-3-ethylsulfanyl-2-hydroxy-propoxy]acetate CAS Name: 2-[3-(3-cyclopentyl-2-phenylmethoxyphenyl)-3-(ethylthio)-2-hydroxypropoxy]acetate IUPAC Name: 2-[3-(3-cyclopentyl-2-phenylmethoxyphenyl)-3-ethylsulfanyl-2-hydroxypropoxy]acetate Traditional Name: 2-[3-(2-benzoxy-3-cyclopentyl-phenyl)-3-(ethylthio)-2-hydroxy-propoxy]acetate Formula: C25H31O5S- MolecularWeight: 443.57564

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C1=CC=CC(=C1OCC2=CC=CC=C2)C3CCCC3)C(COCC(=O)[O-])O

Isomeric SMILES

CCSC(C1=CC=CC(=C1OCC2=CC=CC=C2)C3CCCC3)C(COCC(=O)[O-])O

InChI

InChI=1S/C25H32O5S/c1-2-31-25(22(26)16-29-17-23(27)28)21-14-8-13-20(19-11-6-7-12-19)24(21)30-15-18-9-4-3-5-10-18/h3-5,8-10,13-14,19,22,25-26H,2,6-7,11-12,15-17H2,1H3,(H,27,28)/p-1