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

Systemtic Name: ethyl 4-[2-(2,2-dimethyl-4-phenyl-thiochromen-6-yl)ethynyl]benzoate Openeye Name: ethyl 4-[2-(2,2-dimethyl-4-phenyl-thiochromen-6-yl)ethynyl]benzoate CAS Name: 4-[2-(2,2-dimethyl-4-phenyl-1-benzothiopyran-6-yl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(2,2-dimethyl-4-phenylthiochromen-6-yl)ethynyl]benzoate Traditional Name: 4-[2-(2,2-dimethyl-4-phenyl-thiochromen-6-yl)ethynyl]benzoic acid ethyl ester Formula: C28H24O2S MolecularWeight: 424.55396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)SC(C=C3C4=CC=CC=C4)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)SC(C=C3C4=CC=CC=C4)(C)C

InChI

InChI=1S/C28H24O2S/c1-4-30-27(29)23-15-12-20(13-16-23)10-11-21-14-17-26-24(18-21)25(19-28(2,3)31-26)22-8-6-5-7-9-22/h5-9,12-19H,4H2,1-3H3