methyl 4-[3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-3-fluoranyl-3-oxidanyl-prop-1-ynyl]-2-oxidanyl-benzoate

Systemtic Name: methyl 4-[3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-3-fluoranyl-3-oxidanyl-prop-1-ynyl]-2-oxidanyl-benzoate Openeye Name: methyl 4-[3-(4,4-dimethylthiochroman-6-yl)-3-fluoro-3-hydroxy-prop-1-ynyl]-2-hydroxy-benzoate CAS Name: 4-[3-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)-3-fluoro-3-hydroxyprop-1-ynyl]-2-hydroxybenzoic acid methyl ester IUPAC Name: methyl 4-[3-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-3-fluoro-3-hydroxyprop-1-ynyl]-2-hydroxybenzoate Traditional Name: 4-[3-(4,4-dimethylthiochroman-6-yl)-3-fluoro-3-hydroxy-prop-1-ynyl]-2-hydroxy-benzoic acid methyl ester Formula: C22H21FO4S MolecularWeight: 400.463143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=C(C=C2)C(C#CC3=CC(=C(C=C3)C(=O)OC)O)(O)F)C

Isomeric SMILES

CC1(CCSC2=C1C=C(C=C2)C(C#CC3=CC(=C(C=C3)C(=O)OC)O)(O)F)C

InChI

InChI=1S/C22H21FO4S/c1-21(2)10-11-28-19-7-5-15(13-17(19)21)22(23,26)9-8-14-4-6-16(18(24)12-14)20(25)27-3/h4-7,12-13,24,26H,10-11H2,1-3H3