cyclohexyl 2-[2-chloranyl-4-fluoranyl-5-(4,5,6,7-tetrahydroisoindol-2-yl)phenyl]sulfanylethanoate

Systemtic Name: cyclohexyl 2-[2-chloranyl-4-fluoranyl-5-(4,5,6,7-tetrahydroisoindol-2-yl)phenyl]sulfanylethanoate Openeye Name: cyclohexyl 2-[2-chloro-4-fluoro-5-(4,5,6,7-tetrahydroisoindol-2-yl)phenyl]sulfanylacetate CAS Name: 2-[[2-chloro-4-fluoro-5-(4,5,6,7-tetrahydroisoindol-2-yl)phenyl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[2-chloro-4-fluoro-5-(4,5,6,7-tetrahydroisoindol-2-yl)phenyl]sulfanylacetate Traditional Name: 2-[[2-chloro-4-fluoro-5-(4,5,6,7-tetrahydroisoindol-2-yl)phenyl]thio]acetic acid cyclohexyl ester Formula: C22H25ClFNO2S MolecularWeight: 421.955803

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CSC2=C(C=C(C(=C2)N3C=C4CCCCC4=C3)F)Cl

Isomeric SMILES

C1CCC(CC1)OC(=O)CSC2=C(C=C(C(=C2)N3C=C4CCCCC4=C3)F)Cl

InChI

InChI=1S/C22H25ClFNO2S/c23-18-10-19(24)20(25-12-15-6-4-5-7-16(15)13-25)11-21(18)28-14-22(26)27-17-8-2-1-3-9-17/h10-13,17H,1-9,14H2