4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-4-oxidanylidene-butanamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-4-oxidanylidene-butanamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(4S)-6-fluorothiochroman-4-yl]-4-oxo-butanamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-4-oxobutanamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-oxobutanamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(4S)-6-fluorothiochroman-4-yl]-4-keto-butyramide Formula: C22H22FNO4S MolecularWeight: 415.477783

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)NC3CCSC4=C3C=C(C=C4)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)N[C@H]3CCSC4=C3C=C(C=C4)F)OC1

InChI

InChI=1S/C22H22FNO4S/c23-15-3-6-21-16(13-15)17(8-11-29-21)24-22(26)7-4-18(25)14-2-5-19-20(12-14)28-10-1-9-27-19/h2-3,5-6,12-13,17H,1,4,7-11H2,(H,24,26)/t17-/m0/s1