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

Systemtic Name: [5-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyrimidin-2-yl] butanoate Openeye Name: [5-[2-(7-ethyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]pyrimidin-2-yl] butanoate CAS Name: butanoic acid [5-[2-(7-ethyl-4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-2-pyrimidinyl] ester IUPAC Name: [5-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyrimidin-2-yl] butanoate Traditional Name: butyric acid [5-[2-(7-ethyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]pyrimidin-2-yl] ester Formula: C23H26N2O2S MolecularWeight: 394.52974

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=NC=C(C=N1)C#CC2=CC3=C(C=C2CC)SCCC3(C)C

Isomeric SMILES

CCCC(=O)OC1=NC=C(C=N1)C#CC2=CC3=C(C=C2CC)SCCC3(C)C

InChI

InChI=1S/C23H26N2O2S/c1-5-7-21(26)27-22-24-14-16(15-25-22)8-9-18-12-19-20(13-17(18)6-2)28-11-10-23(19,3)4/h12-15H,5-7,10-11H2,1-4H3