3-azanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one; ethanoyl fluoride

Systemtic Name: 3-azanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one; ethanoyl fluoride Openeye Name: acetyl fluoride; 3-amino-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: acetyl fluoride; 3-amino-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: acetyl fluoride; 3-amino-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: acetyl fluoride; 3-amino-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C15H19F3N2O4S MolecularWeight: 380.38257

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)F.CC(=O)F.CC(=O)F.C1C(C(=O)NC2=CC=CC=C2S1)N

Isomeric SMILES

CC(=O)F.CC(=O)F.CC(=O)F.C1C(C(=O)NC2=CC=CC=C2S1)N

InChI

InChI=1S/C9H10N2OS.3C2H3FO/c10-6-5-13-8-4-2-1-3-7(8)11-9(6)12;3*1-2(3)4/h1-4,6H,5,10H2,(H,11,12);3*1H3