ethyl 2-[4-[2-(4,4-diethyl-7-methyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]ethanoate

Systemtic Name: ethyl 2-[4-[2-(4,4-diethyl-7-methyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]ethanoate Openeye Name: ethyl 2-[4-[2-(4,4-diethyl-7-methyl-thiochroman-6-yl)ethynyl]phenyl]acetate CAS Name: 2-[4-[2-(4,4-diethyl-7-methyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-(4,4-diethyl-7-methyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]acetate Traditional Name: 2-[4-[2-(4,4-diethyl-7-methyl-thiochroman-6-yl)ethynyl]phenyl]acetic acid ethyl ester Formula: C26H30O2S MolecularWeight: 406.5802

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCSC2=C1C=C(C(=C2)C)C#CC3=CC=C(C=C3)CC(=O)OCC)CC

Isomeric SMILES

CCC1(CCSC2=C1C=C(C(=C2)C)C#CC3=CC=C(C=C3)CC(=O)OCC)CC

InChI

InChI=1S/C26H30O2S/c1-5-26(6-2)14-15-29-24-16-19(4)22(18-23(24)26)13-12-20-8-10-21(11-9-20)17-25(27)28-7-3/h8-11,16,18H,5-7,14-15,17H2,1-4H3