[5-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]thiophen-2-yl] butanoate

Systemtic Name: [5-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]thiophen-2-yl] butanoate Openeye Name: [5-[2-(7-ethyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]-2-thienyl] butanoate CAS Name: butanoic acid [5-[2-(7-ethyl-4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-2-thiophenyl] ester IUPAC Name: [5-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]thiophen-2-yl] butanoate Traditional Name: butyric acid [5-[2-(7-ethyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]-2-thienyl] ester Formula: C23H26O2S2 MolecularWeight: 398.58134

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC=C(S1)C#CC2=CC3=C(C=C2CC)SCCC3(C)C

Isomeric SMILES

CCCC(=O)OC1=CC=C(S1)C#CC2=CC3=C(C=C2CC)SCCC3(C)C

InChI

InChI=1S/C23H26O2S2/c1-5-7-21(24)25-22-11-10-18(27-22)9-8-17-14-19-20(15-16(17)6-2)26-13-12-23(19,3)4/h10-11,14-15H,5-7,12-13H2,1-4H3