pyridin-3-yl 4-(4,4-diethyl-7-methyl-2,3-dihydrothiochromen-6-yl)but-3-ynoate

Systemtic Name: pyridin-3-yl 4-(4,4-diethyl-7-methyl-2,3-dihydrothiochromen-6-yl)but-3-ynoate Openeye Name: 3-pyridyl 4-(4,4-diethyl-7-methyl-thiochroman-6-yl)but-3-ynoate CAS Name: 4-(4,4-diethyl-7-methyl-2,3-dihydro-1-benzothiopyran-6-yl)-3-butynoic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 4-(4,4-diethyl-7-methyl-2,3-dihydrothiochromen-6-yl)but-3-ynoate Traditional Name: 4-(4,4-diethyl-7-methyl-thiochroman-6-yl)but-3-ynoic acid 3-pyridyl ester Formula: C23H25NO2S MolecularWeight: 379.5151

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCSC2=C1C=C(C(=C2)C)C#CCC(=O)OC3=CN=CC=C3)CC

Isomeric SMILES

CCC1(CCSC2=C1C=C(C(=C2)C)C#CCC(=O)OC3=CN=CC=C3)CC

InChI

InChI=1S/C23H25NO2S/c1-4-23(5-2)11-13-27-21-14-17(3)18(15-20(21)23)8-6-10-22(25)26-19-9-7-12-24-16-19/h7,9,12,14-16H,4-5,10-11,13H2,1-3H3