ethyl 2-(4-butoxyphenyl)sulfanylethanoate

Systemtic Name: ethyl 2-(4-butoxyphenyl)sulfanylethanoate Openeye Name: ethyl 2-(4-butoxyphenyl)sulfanylacetate CAS Name: 2-[(4-butoxyphenyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-butoxyphenyl)sulfanylacetate Traditional Name: 2-[(4-butoxyphenyl)thio]acetic acid ethyl ester Formula: C14H20O3S MolecularWeight: 268.3718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)SCC(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)SCC(=O)OCC

InChI

InChI=1S/C14H20O3S/c1-3-5-10-17-12-6-8-13(9-7-12)18-11-14(15)16-4-2/h6-9H,3-5,10-11H2,1-2H3