S-[4-ethoxy-2,3-bis(fluoranyl)phenyl] 4-(4-pentylcyclohexyl)benzenecarbothioate

Systemtic Name: S-[4-ethoxy-2,3-bis(fluoranyl)phenyl] 4-(4-pentylcyclohexyl)benzenecarbothioate Openeye Name: S-(4-ethoxy-2,3-difluoro-phenyl) 4-(4-pentylcyclohexyl)benzenecarbothioate CAS Name: 4-(4-pentylcyclohexyl)benzenecarbothioic acid S-(4-ethoxy-2,3-difluorophenyl) ester IUPAC Name: S-(4-ethoxy-2,3-difluorophenyl) 4-(4-pentylcyclohexyl)benzenecarbothioate Traditional Name: 4-(4-amylcyclohexyl)thiobenzoic acid S-(4-ethoxy-2,3-difluoro-phenyl) ester Formula: C26H32F2O2S MolecularWeight: 446.592886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)SC3=C(C(=C(C=C3)OCC)F)F

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)SC3=C(C(=C(C=C3)OCC)F)F

InChI

InChI=1S/C26H32F2O2S/c1-3-5-6-7-18-8-10-19(11-9-18)20-12-14-21(15-13-20)26(29)31-23-17-16-22(30-4-2)24(27)25(23)28/h12-19H,3-11H2,1-2H3