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

Systemtic Name: ethyl 5-[5-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyrimidin-2-yl]pentanoate Openeye Name: ethyl 5-[5-[2-(7-ethyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]pyrimidin-2-yl]pentanoate CAS Name: 5-[5-[2-(7-ethyl-4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-2-pyrimidinyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[5-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyrimidin-2-yl]pentanoate Traditional Name: 5-[5-[2-(7-ethyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]pyrimidin-2-yl]valeric acid ethyl ester Formula: C26H32N2O2S MolecularWeight: 436.60948

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C#CC3=CN=C(N=C3)CCCCC(=O)OCC)C(CCS2)(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1C#CC3=CN=C(N=C3)CCCCC(=O)OCC)C(CCS2)(C)C

InChI

InChI=1S/C26H32N2O2S/c1-5-20-16-23-22(26(3,4)13-14-31-23)15-21(20)12-11-19-17-27-24(28-18-19)9-7-8-10-25(29)30-6-2/h15-18H,5-10,13-14H2,1-4H3