ethyl 4-[2-(2,2-dimethyl-4-oxidanylidene-3H-thiochromen-6-yl)ethynyl]benzoate

Systemtic Name: ethyl 4-[2-(2,2-dimethyl-4-oxidanylidene-3H-thiochromen-6-yl)ethynyl]benzoate Openeye Name: ethyl 4-[2-(2,2-dimethyl-4-oxo-thiochroman-6-yl)ethynyl]benzoate CAS Name: 4-[2-(2,2-dimethyl-4-oxo-3H-1-benzothiopyran-6-yl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(2,2-dimethyl-4-oxo-3H-thiochromen-6-yl)ethynyl]benzoate Traditional Name: 4-[2-(4-keto-2,2-dimethyl-thiochroman-6-yl)ethynyl]benzoic acid ethyl ester Formula: C22H20O3S MolecularWeight: 364.4574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)SC(CC3=O)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)SC(CC3=O)(C)C

InChI

InChI=1S/C22H20O3S/c1-4-25-21(24)17-10-7-15(8-11-17)5-6-16-9-12-20-18(13-16)19(23)14-22(2,3)26-20/h7-13H,4,14H2,1-3H3