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

Systemtic Name: [5-[2-(4,4-diethyl-7-methyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyrimidin-2-yl] butanoate Openeye Name: [5-[2-(4,4-diethyl-7-methyl-thiochroman-6-yl)ethynyl]pyrimidin-2-yl] butanoate CAS Name: butanoic acid [5-[2-(4,4-diethyl-7-methyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-2-pyrimidinyl] ester IUPAC Name: [5-[2-(4,4-diethyl-7-methyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyrimidin-2-yl] butanoate Traditional Name: butyric acid [5-[2-(4,4-diethyl-7-methyl-thiochroman-6-yl)ethynyl]pyrimidin-2-yl] ester Formula: C24H28N2O2S MolecularWeight: 408.55632

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=NC=C(C=N1)C#CC2=CC3=C(C=C2C)SCCC3(CC)CC

Isomeric SMILES

CCCC(=O)OC1=NC=C(C=N1)C#CC2=CC3=C(C=C2C)SCCC3(CC)CC

InChI

InChI=1S/C24H28N2O2S/c1-5-8-22(27)28-23-25-15-18(16-26-23)9-10-19-14-20-21(13-17(19)4)29-12-11-24(20,6-2)7-3/h13-16H,5-8,11-12H2,1-4H3