ethyl 3-[6-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridin-3-yl]propanoate

Systemtic Name: ethyl 3-[6-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridin-3-yl]propanoate Openeye Name: ethyl 3-[6-[2-(7-ethyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]-3-pyridyl]propanoate CAS Name: 3-[6-[2-(7-ethyl-4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-3-pyridinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridin-3-yl]propanoate Traditional Name: 3-[6-[2-(7-ethyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]-3-pyridyl]propionic acid ethyl ester Formula: C25H29NO2S MolecularWeight: 407.56826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C#CC3=NC=C(C=C3)CCC(=O)OCC)C(CCS2)(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1C#CC3=NC=C(C=C3)CCC(=O)OCC)C(CCS2)(C)C

InChI

InChI=1S/C25H29NO2S/c1-5-19-16-23-22(25(3,4)13-14-29-23)15-20(19)9-11-21-10-7-18(17-26-21)8-12-24(27)28-6-2/h7,10,15-17H,5-6,8,12-14H2,1-4H3