methyl 4-(4-fluoranyl-3-methyl-phenyl)-2,2-dimethyl-7,11-dithiaspiro[5.5]undec-4-ene-3-carboxylate

Systemtic Name: methyl 4-(4-fluoranyl-3-methyl-phenyl)-2,2-dimethyl-7,11-dithiaspiro[5.5]undec-4-ene-3-carboxylate Openeye Name: methyl 4-(4-fluoro-3-methyl-phenyl)-2,2-dimethyl-7,11-dithiaspiro[5.5]undec-4-ene-3-carboxylate CAS Name: 4-(4-fluoro-3-methylphenyl)-2,2-dimethyl-7,11-dithiaspiro[5.5]undec-4-ene-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-fluoro-3-methylphenyl)-2,2-dimethyl-7,11-dithiaspiro[5.5]undec-4-ene-3-carboxylate Traditional Name: 4-(4-fluoro-3-methyl-phenyl)-2,2-dimethyl-7,11-dithiaspiro[5.5]undec-4-ene-3-carboxylic acid methyl ester Formula: C20H25FO2S2 MolecularWeight: 380.539703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC3(CC(C2C(=O)OC)(C)C)SCCCS3)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC3(CC(C2C(=O)OC)(C)C)SCCCS3)F

InChI

InChI=1S/C20H25FO2S2/c1-13-10-14(6-7-16(13)21)15-11-20(24-8-5-9-25-20)12-19(2,3)17(15)18(22)23-4/h6-7,10-11,17H,5,8-9,12H2,1-4H3