methyl 2-[3-(3-cyclopentyl-2-phenylmethoxy-phenyl)-2-oxidanyl-propyl]sulfanylethanoate

Systemtic Name: methyl 2-[3-(3-cyclopentyl-2-phenylmethoxy-phenyl)-2-oxidanyl-propyl]sulfanylethanoate Openeye Name: methyl 2-[3-(2-benzyloxy-3-cyclopentyl-phenyl)-2-hydroxy-propyl]sulfanylacetate CAS Name: 2-[[3-(3-cyclopentyl-2-phenylmethoxyphenyl)-2-hydroxypropyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-(3-cyclopentyl-2-phenylmethoxyphenyl)-2-hydroxypropyl]sulfanylacetate Traditional Name: 2-[[3-(2-benzoxy-3-cyclopentyl-phenyl)-2-hydroxy-propyl]thio]acetic acid methyl ester Formula: C24H30O4S MolecularWeight: 414.5576

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC(CC1=CC=CC(=C1OCC2=CC=CC=C2)C3CCCC3)O

Isomeric SMILES

COC(=O)CSCC(CC1=CC=CC(=C1OCC2=CC=CC=C2)C3CCCC3)O

InChI

InChI=1S/C24H30O4S/c1-27-23(26)17-29-16-21(25)14-20-12-7-13-22(19-10-5-6-11-19)24(20)28-15-18-8-3-2-4-9-18/h2-4,7-9,12-13,19,21,25H,5-6,10-11,14-17H2,1H3