ethyl 2-(4-but-2-ynoxyphenyl)sulfanyl-2-cyclohexyl-ethanoate

Systemtic Name: ethyl 2-(4-but-2-ynoxyphenyl)sulfanyl-2-cyclohexyl-ethanoate Openeye Name: ethyl 2-(4-but-2-ynoxyphenyl)sulfanyl-2-cyclohexyl-acetate CAS Name: 2-[(4-but-2-ynoxyphenyl)thio]-2-cyclohexylacetic acid ethyl ester IUPAC Name: ethyl 2-(4-but-2-ynoxyphenyl)sulfanyl-2-cyclohexylacetate Traditional Name: 2-[(4-but-2-ynoxyphenyl)thio]-2-cyclohexyl-acetic acid ethyl ester Formula: C20H26O3S MolecularWeight: 346.48364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1CCCCC1)SC2=CC=C(C=C2)OCC#CC

Isomeric SMILES

CCOC(=O)C(C1CCCCC1)SC2=CC=C(C=C2)OCC#CC

InChI

InChI=1S/C20H26O3S/c1-3-5-15-23-17-11-13-18(14-12-17)24-19(20(21)22-4-2)16-9-7-6-8-10-16/h11-14,16,19H,4,6-10,15H2,1-2H3