3-(3,4-dimethoxyphenyl)-N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)propanamide

Systemtic Name: 3-(3,4-dimethoxyphenyl)-N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)propanamide Openeye Name: 3-(3,4-dimethoxyphenyl)-N-(6-fluorothiochroman-4-yl)propanamide CAS Name: 3-(3,4-dimethoxyphenyl)-N-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)propanamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide Traditional Name: 3-(3,4-dimethoxyphenyl)-N-(6-fluorothiochroman-4-yl)propionamide Formula: C20H22FNO3S MolecularWeight: 375.456983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NC2CCSC3=C2C=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NC2CCSC3=C2C=C(C=C3)F)OC

InChI

InChI=1S/C20H22FNO3S/c1-24-17-6-3-13(11-18(17)25-2)4-8-20(23)22-16-9-10-26-19-7-5-14(21)12-15(16)19/h3,5-7,11-12,16H,4,8-10H2,1-2H3,(H,22,23)