2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]ethanamide

Systemtic Name: 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]ethanamide Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-N-[(4S)-6-fluorothiochroman-4-yl]acetamide CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-N-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]acetamide IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]acetamide Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-N-[(4S)-6-fluorothiochroman-4-yl]acetamide Formula: C21H22FNO3S2 MolecularWeight: 419.532683

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)NC2CCSC3=C2C=C(C=C3)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)N[C@H]2CCSC3=C2C=C(C=C3)F

InChI

InChI=1S/C21H22FNO3S2/c1-13(24)14-3-5-19(26-2)15(9-14)11-27-12-21(25)23-18-7-8-28-20-6-4-16(22)10-17(18)20/h3-6,9-10,18H,7-8,11-12H2,1-2H3,(H,23,25)/t18-/m0/s1