2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]ethanamide

Systemtic Name: 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]ethanamide Openeye Name: 2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-N-[(4S)-6-fluorothiochroman-4-yl]acetamide CAS Name: 2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-N-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]acetamide IUPAC Name: 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]acetamide Traditional Name: 2-(2,2-dimethylcoumaran-7-yl)oxy-N-[(4S)-6-fluorothiochroman-4-yl]acetamide Formula: C21H22FNO3S MolecularWeight: 387.467683

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OCC(=O)NC3CCSC4=C3C=C(C=C4)F)C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OCC(=O)N[C@H]3CCSC4=C3C=C(C=C4)F)C

InChI

InChI=1S/C21H22FNO3S/c1-21(2)11-13-4-3-5-17(20(13)26-21)25-12-19(24)23-16-8-9-27-18-7-6-14(22)10-15(16)18/h3-7,10,16H,8-9,11-12H2,1-2H3,(H,23,24)/t16-/m0/s1