4-[2-[7-fluoranyl-2,2-dimethyl-4-(5-methylthiophen-2-yl)thiochromen-6-yl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[7-fluoranyl-2,2-dimethyl-4-(5-methylthiophen-2-yl)thiochromen-6-yl]ethynyl]benzoic acid Openeye Name: 4-[2-[7-fluoro-2,2-dimethyl-4-(5-methyl-2-thienyl)thiochromen-6-yl]ethynyl]benzoic acid CAS Name: 4-[2-[7-fluoro-2,2-dimethyl-4-(5-methyl-2-thiophenyl)-1-benzothiopyran-6-yl]ethynyl]benzoic acid IUPAC Name: 4-[2-[7-fluoro-2,2-dimethyl-4-(5-methylthiophen-2-yl)thiochromen-6-yl]ethynyl]benzoic acid Traditional Name: 4-[2-[7-fluoro-2,2-dimethyl-4-(5-methyl-2-thienyl)thiochromen-6-yl]ethynyl]benzoic acid Formula: C25H19FO2S2 MolecularWeight: 434.545563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC(SC3=C2C=C(C(=C3)F)C#CC4=CC=C(C=C4)C(=O)O)(C)C

Isomeric SMILES

CC1=CC=C(S1)C2=CC(SC3=C2C=C(C(=C3)F)C#CC4=CC=C(C=C4)C(=O)O)(C)C

InChI

InChI=1S/C25H19FO2S2/c1-15-4-11-22(29-15)20-14-25(2,3)30-23-13-21(26)18(12-19(20)23)10-7-16-5-8-17(9-6-16)24(27)28/h4-6,8-9,11-14H,1-3H3,(H,27,28)