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

Systemtic Name: 4-[2-[2,2-dimethyl-4-(5-methylthiophen-2-yl)thiochromen-6-yl]ethynyl]benzoic acid Openeye Name: 4-[2-[2,2-dimethyl-4-(5-methyl-2-thienyl)thiochromen-6-yl]ethynyl]benzoic acid CAS Name: 4-[2-[2,2-dimethyl-4-(5-methyl-2-thiophenyl)-1-benzothiopyran-6-yl]ethynyl]benzoic acid IUPAC Name: 4-[2-[2,2-dimethyl-4-(5-methylthiophen-2-yl)thiochromen-6-yl]ethynyl]benzoic acid Traditional Name: 4-[2-[2,2-dimethyl-4-(5-methyl-2-thienyl)thiochromen-6-yl]ethynyl]benzoic acid Formula: C25H20O2S2 MolecularWeight: 416.5551

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20O2S2/c1-16-4-12-22(28-16)21-15-25(2,3)29-23-13-9-18(14-20(21)23)6-5-17-7-10-19(11-8-17)24(26)27/h4,7-15H,1-3H3,(H,26,27)