2-[5-[2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]pyrimidin-2-yl]ethanoate

Systemtic Name: 2-[5-[2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]pyrimidin-2-yl]ethanoate Openeye Name: 2-[5-[2-(2,2,4,4-tetramethylthiochroman-6-yl)ethynyl]pyrimidin-2-yl]acetate CAS Name: 2-[5-[2-(2,2,4,4-tetramethyl-3H-1-benzothiopyran-6-yl)ethynyl]-2-pyrimidinyl]acetate IUPAC Name: 2-[5-[2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]pyrimidin-2-yl]acetate Traditional Name: 2-[5-[2-(2,2,4,4-tetramethylthiochroman-6-yl)ethynyl]pyrimidin-2-yl]acetate Formula: C21H21N2O2S- MolecularWeight: 365.46864

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(SC2=C1C=C(C=C2)C#CC3=CN=C(N=C3)CC(=O)[O-])(C)C)C

Isomeric SMILES

CC1(CC(SC2=C1C=C(C=C2)C#CC3=CN=C(N=C3)CC(=O)[O-])(C)C)C

InChI

InChI=1S/C21H22N2O2S/c1-20(2)13-21(3,4)26-17-8-7-14(9-16(17)20)5-6-15-11-22-18(23-12-15)10-19(24)25/h7-9,11-12H,10,13H2,1-4H3,(H,24,25)/p-1