ethyl 2-(4-methylphenyl)sulfonyl-8-thiophen-2-yl-octanoate

Systemtic Name: ethyl 2-(4-methylphenyl)sulfonyl-8-thiophen-2-yl-octanoate Openeye Name: ethyl 2-(p-tolylsulfonyl)-8-(2-thienyl)octanoate CAS Name: 2-(4-methylphenyl)sulfonyl-8-thiophen-2-yloctanoic acid ethyl ester IUPAC Name: ethyl 2-(4-methylphenyl)sulfonyl-8-thiophen-2-yloctanoate Traditional Name: 8-(2-thienyl)-2-tosyl-caprylic acid ethyl ester Formula: C21H28O4S2 MolecularWeight: 408.57462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCCCC1=CC=CS1)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C(CCCCCCC1=CC=CS1)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H28O4S2/c1-3-25-21(22)20(27(23,24)19-14-12-17(2)13-15-19)11-7-5-4-6-9-18-10-8-16-26-18/h8,10,12-16,20H,3-7,9,11H2,1-2H3