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

Systemtic Name: ethyl 4-[3-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]butanoate Openeye Name: ethyl 4-[3-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]phenyl]butanoate CAS Name: 4-[3-[2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]phenyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]butanoate Traditional Name: 4-[3-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]phenyl]butyric acid ethyl ester Formula: C25H28O2S MolecularWeight: 392.55362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC1=CC=CC(=C1)C#CC2=CC3=C(C=C2)SCCC3(C)C

Isomeric SMILES

CCOC(=O)CCCC1=CC=CC(=C1)C#CC2=CC3=C(C=C2)SCCC3(C)C

InChI

InChI=1S/C25H28O2S/c1-4-27-24(26)10-6-9-19-7-5-8-20(17-19)11-12-21-13-14-23-22(18-21)25(2,3)15-16-28-23/h5,7-8,13-14,17-18H,4,6,9-10,15-16H2,1-3H3