methyl 3-[3-(3-cyclopentyl-2-prop-2-ynoxy-phenyl)-2-oxidanyl-propyl]sulfanylpropanoate

Systemtic Name: methyl 3-[3-(3-cyclopentyl-2-prop-2-ynoxy-phenyl)-2-oxidanyl-propyl]sulfanylpropanoate Openeye Name: methyl 3-[3-(3-cyclopentyl-2-prop-2-ynoxy-phenyl)-2-hydroxy-propyl]sulfanylpropanoate CAS Name: 3-[[3-(3-cyclopentyl-2-prop-2-ynoxyphenyl)-2-hydroxypropyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(3-cyclopentyl-2-prop-2-ynoxyphenyl)-2-hydroxypropyl]sulfanylpropanoate Traditional Name: 3-[[3-(3-cyclopentyl-2-propargyloxy-phenyl)-2-hydroxy-propyl]thio]propionic acid methyl ester Formula: C21H28O4S MolecularWeight: 376.50962

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(CC1=CC=CC(=C1OCC#C)C2CCCC2)O

Isomeric SMILES

COC(=O)CCSCC(CC1=CC=CC(=C1OCC#C)C2CCCC2)O

InChI

InChI=1S/C21H28O4S/c1-3-12-25-21-17(9-6-10-19(21)16-7-4-5-8-16)14-18(22)15-26-13-11-20(23)24-2/h1,6,9-10,16,18,22H,4-5,7-8,11-15H2,2H3