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

Systemtic Name: ethyl 2-[4-[2-(4,4-dimethyl-7-propyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]pentanoate Openeye Name: ethyl 2-[4-[2-(4,4-dimethyl-7-propyl-thiochroman-6-yl)ethynyl]phenyl]pentanoate CAS Name: 2-[4-[2-(4,4-dimethyl-7-propyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]phenyl]pentanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-(4,4-dimethyl-7-propyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]pentanoate Traditional Name: 2-[4-[2-(4,4-dimethyl-7-propyl-thiochroman-6-yl)ethynyl]phenyl]valeric acid ethyl ester Formula: C29H36O2S MolecularWeight: 448.65994

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)C(CCC)C(=O)OCC)C(CCS2)(C)C

Isomeric SMILES

CCCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)C(CCC)C(=O)OCC)C(CCS2)(C)C

InChI

InChI=1S/C29H36O2S/c1-6-9-23-20-27-26(29(4,5)17-18-32-27)19-24(23)16-13-21-11-14-22(15-12-21)25(10-7-2)28(30)31-8-3/h11-12,14-15,19-20,25H,6-10,17-18H2,1-5H3