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

Systemtic Name: [5-[2-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)ethynyl]thiophen-2-yl] butanoate Openeye Name: [5-[2-(4,4-diethylthiochroman-6-yl)ethynyl]-2-thienyl] butanoate CAS Name: butanoic acid [5-[2-(4,4-diethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-2-thiophenyl] ester IUPAC Name: [5-[2-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)ethynyl]thiophen-2-yl] butanoate Traditional Name: butyric acid [5-[2-(4,4-diethylthiochroman-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=C2)SCCC3(CC)CC

Isomeric SMILES

CCCC(=O)OC1=CC=C(S1)C#CC2=CC3=C(C=C2)SCCC3(CC)CC

InChI

InChI=1S/C23H26O2S2/c1-4-7-21(24)25-22-13-11-18(27-22)10-8-17-9-12-20-19(16-17)23(5-2,6-3)14-15-26-20/h9,11-13,16H,4-7,14-15H2,1-3H3