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

Systemtic Name: ethyl 4-[2-[4-(5-ethylthiophen-2-yl)-2,2-dimethyl-thiochromen-6-yl]ethynyl]benzoate Openeye Name: ethyl 4-[2-[4-(5-ethyl-2-thienyl)-2,2-dimethyl-thiochromen-6-yl]ethynyl]benzoate CAS Name: 4-[2-[4-(5-ethyl-2-thiophenyl)-2,2-dimethyl-1-benzothiopyran-6-yl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-(5-ethylthiophen-2-yl)-2,2-dimethylthiochromen-6-yl]ethynyl]benzoate Traditional Name: 4-[2-[4-(5-ethyl-2-thienyl)-2,2-dimethyl-thiochromen-6-yl]ethynyl]benzoic acid ethyl ester Formula: C28H26O2S2 MolecularWeight: 458.63484

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2=CC(SC3=C2C=C(C=C3)C#CC4=CC=C(C=C4)C(=O)OCC)(C)C

Isomeric SMILES

CCC1=CC=C(S1)C2=CC(SC3=C2C=C(C=C3)C#CC4=CC=C(C=C4)C(=O)OCC)(C)C

InChI

InChI=1S/C28H26O2S2/c1-5-22-14-16-25(31-22)24-18-28(3,4)32-26-15-11-20(17-23(24)26)8-7-19-9-12-21(13-10-19)27(29)30-6-2/h9-18H,5-6H2,1-4H3