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

Systemtic Name: ethyl 4-[2-[7-fluoranyl-2,2-dimethyl-4-(4-methylphenyl)thiochromen-6-yl]ethynyl]benzoate Openeye Name: ethyl 4-[2-[7-fluoro-2,2-dimethyl-4-(p-tolyl)thiochromen-6-yl]ethynyl]benzoate CAS Name: 4-[2-[7-fluoro-2,2-dimethyl-4-(4-methylphenyl)-1-benzothiopyran-6-yl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[7-fluoro-2,2-dimethyl-4-(4-methylphenyl)thiochromen-6-yl]ethynyl]benzoate Traditional Name: 4-[2-[7-fluoro-2,2-dimethyl-4-(p-tolyl)thiochromen-6-yl]ethynyl]benzoic acid ethyl ester Formula: C29H25FO2S MolecularWeight: 456.571003

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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(C=C4)C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2F)SC(C=C3C4=CC=C(C=C4)C)(C)C

InChI

InChI=1S/C29H25FO2S/c1-5-32-28(31)22-13-8-20(9-14-22)10-15-23-16-24-25(21-11-6-19(2)7-12-21)18-29(3,4)33-27(24)17-26(23)30/h6-9,11-14,16-18H,5H2,1-4H3