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

Systemtic Name: ethyl 4-[2-[7-fluoranyl-2,2-dimethyl-4-(5-methylthiophen-2-yl)thiochromen-6-yl]ethynyl]benzoate Openeye Name: ethyl 4-[2-[7-fluoro-2,2-dimethyl-4-(5-methyl-2-thienyl)thiochromen-6-yl]ethynyl]benzoate CAS Name: 4-[2-[7-fluoro-2,2-dimethyl-4-(5-methyl-2-thiophenyl)-1-benzothiopyran-6-yl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[7-fluoro-2,2-dimethyl-4-(5-methylthiophen-2-yl)thiochromen-6-yl]ethynyl]benzoate Traditional Name: 4-[2-[7-fluoro-2,2-dimethyl-4-(5-methyl-2-thienyl)thiochromen-6-yl]ethynyl]benzoic acid ethyl ester Formula: C27H23FO2S2 MolecularWeight: 462.598723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2F)SC(C=C3C4=CC=C(S4)C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2F)SC(C=C3C4=CC=C(S4)C)(C)C

InChI

InChI=1S/C27H23FO2S2/c1-5-30-26(29)19-10-7-18(8-11-19)9-12-20-14-21-22(24-13-6-17(2)31-24)16-27(3,4)32-25(21)15-23(20)28/h6-8,10-11,13-16H,5H2,1-4H3