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

Systemtic Name: ethyl 3-[6-[2-(4,4-diethyl-7-methyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridin-3-yl]propanoate Openeye Name: ethyl 3-[6-[2-(4,4-diethyl-7-methyl-thiochroman-6-yl)ethynyl]-3-pyridyl]propanoate CAS Name: 3-[6-[2-(4,4-diethyl-7-methyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-3-pyridinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-[2-(4,4-diethyl-7-methyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridin-3-yl]propanoate Traditional Name: 3-[6-[2-(4,4-diethyl-7-methyl-thiochroman-6-yl)ethynyl]-3-pyridyl]propionic acid ethyl ester Formula: C26H31NO2S MolecularWeight: 421.59484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO2S/c1-5-26(6-2)14-15-30-24-16-19(4)21(17-23(24)26)10-12-22-11-8-20(18-27-22)9-13-25(28)29-7-3/h8,11,16-18H,5-7,9,13-15H2,1-4H3