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

Systemtic Name: ethyl 3-[3-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]propanoate Openeye Name: ethyl 3-[3-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]phenyl]propanoate CAS Name: 3-[3-[2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]propanoate Traditional Name: 3-[3-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]phenyl]propionic acid ethyl ester Formula: C24H26O2S MolecularWeight: 378.52704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC=CC(=C1)C#CC2=CC3=C(C=C2)SCCC3(C)C

Isomeric SMILES

CCOC(=O)CCC1=CC=CC(=C1)C#CC2=CC3=C(C=C2)SCCC3(C)C

InChI

InChI=1S/C24H26O2S/c1-4-26-23(25)13-11-19-7-5-6-18(16-19)8-9-20-10-12-22-21(17-20)24(2,3)14-15-27-22/h5-7,10,12,16-17H,4,11,13-15H2,1-3H3