3-azanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 3-azanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 3-amino-3,5-dihydro-2H-1,5-benzothiazepin-4-one; 2,2,2-trifluoroacetic acid CAS Name: 3-amino-3,5-dihydro-2H-1,5-benzothiazepin-4-one; 2,2,2-trifluoroacetic acid IUPAC Name: 3-amino-3,5-dihydro-2H-1,5-benzothiazepin-4-one; 2,2,2-trifluoroacetic acid Traditional Name: 3-amino-3,5-dihydro-2H-1,5-benzothiazepin-4-one; 2,2,2-trifluoroacetic acid Formula: C11H11F3N2O3S MolecularWeight: 308.27685

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N2OS.C2HF3O2/c10-6-5-13-8-4-2-1-3-7(8)11-9(6)12;3-2(4,5)1(6)7/h1-4,6H,5,10H2,(H,11,12);(H,6,7)