N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanamide

Systemtic Name: N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: N-[(4S)-6-fluorothiochroman-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide CAS Name: N-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: N-[(4S)-6-fluorothiochroman-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide Formula: C20H22FNO4S MolecularWeight: 391.456383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC(=O)NC2CCSC3=C2C=C(C=C3)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC(=O)N[C@H]2CCSC3=C2C=C(C=C3)F

InChI

InChI=1S/C20H22FNO4S/c1-24-16-8-12(9-17(25-2)20(16)26-3)10-19(23)22-15-6-7-27-18-5-4-13(21)11-14(15)18/h4-5,8-9,11,15H,6-7,10H2,1-3H3,(H,22,23)/t15-/m0/s1