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

Systemtic Name: [5-[2-(4,4-diethyl-7-methyl-2,3-dihydrothiochromen-6-yl)ethynyl]thiophen-2-yl] butanoate Openeye Name: [5-[2-(4,4-diethyl-7-methyl-thiochroman-6-yl)ethynyl]-2-thienyl] butanoate CAS Name: butanoic acid [5-[2-(4,4-diethyl-7-methyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-2-thiophenyl] ester IUPAC Name: [5-[2-(4,4-diethyl-7-methyl-2,3-dihydrothiochromen-6-yl)ethynyl]thiophen-2-yl] butanoate Traditional Name: butyric acid [5-[2-(4,4-diethyl-7-methyl-thiochroman-6-yl)ethynyl]-2-thienyl] ester Formula: C24H28O2S2 MolecularWeight: 412.60792

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC=C(S1)C#CC2=CC3=C(C=C2C)SCCC3(CC)CC

Isomeric SMILES

CCCC(=O)OC1=CC=C(S1)C#CC2=CC3=C(C=C2C)SCCC3(CC)CC

InChI

InChI=1S/C24H28O2S2/c1-5-8-22(25)26-23-12-11-19(28-23)10-9-18-16-20-21(15-17(18)4)27-14-13-24(20,6-2)7-3/h11-12,15-16H,5-8,13-14H2,1-4H3