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

Systemtic Name: ethyl 4-[2-[4-(4-ethylphenyl)-2,2-dimethyl-thiochromen-6-yl]ethynyl]-2-fluoranyl-benzoate Openeye Name: ethyl 4-[2-[4-(4-ethylphenyl)-2,2-dimethyl-thiochromen-6-yl]ethynyl]-2-fluoro-benzoate CAS Name: 4-[2-[4-(4-ethylphenyl)-2,2-dimethyl-1-benzothiopyran-6-yl]ethynyl]-2-fluorobenzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-(4-ethylphenyl)-2,2-dimethylthiochromen-6-yl]ethynyl]-2-fluorobenzoate Traditional Name: 4-[2-[4-(4-ethylphenyl)-2,2-dimethyl-thiochromen-6-yl]ethynyl]-2-fluoro-benzoic acid ethyl ester Formula: C30H27FO2S MolecularWeight: 470.597583

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC(SC3=C2C=C(C=C3)C#CC4=CC(=C(C=C4)C(=O)OCC)F)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC(SC3=C2C=C(C=C3)C#CC4=CC(=C(C=C4)C(=O)OCC)F)(C)C

InChI

InChI=1S/C30H27FO2S/c1-5-20-9-13-23(14-10-20)26-19-30(3,4)34-28-16-12-21(17-25(26)28)7-8-22-11-15-24(27(31)18-22)29(32)33-6-2/h9-19H,5-6H2,1-4H3