2-[2-[3-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]methylidene]-1,4-benzothiazin-4-yl]ethanoylamino]ethyl-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: 2-[2-[3-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]methylidene]-1,4-benzothiazin-4-yl]ethanoylamino]ethyl-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-isopropyl-[2-[[2-[3-oxo-2-[[4-(trifluoromethyl)phenyl]methylene]-1,4-benzothiazin-4-yl]acetyl]amino]ethyl]ammonium CAS Name: 2-[[1-oxo-2-[3-oxo-2-[[4-(trifluoromethyl)phenyl]methylidene]-1,4-benzothiazin-4-yl]ethyl]amino]ethyl-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[2-[[2-[3-oxo-2-[[4-(trifluoromethyl)phenyl]methylidene]-1,4-benzothiazin-4-yl]acetyl]amino]ethyl]-propan-2-ylazanium Traditional Name: benzyl-isopropyl-[2-[[2-[3-keto-2-[4-(trifluoromethyl)benzylidene]-1,4-benzothiazin-4-yl]acetyl]amino]ethyl]ammonium Formula: C30H31F3N3O2S+ MolecularWeight: 554.64625

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)CN1C2=CC=CC=C2SC(=CC3=CC=C(C=C3)C(F)(F)F)C1=O)CC4=CC=CC=C4

Isomeric SMILES

CC(C)[NH+](CCNC(=O)CN1C2=CC=CC=C2SC(=CC3=CC=C(C=C3)C(F)(F)F)C1=O)CC4=CC=CC=C4

InChI

InChI=1S/C30H30F3N3O2S/c1-21(2)35(19-23-8-4-3-5-9-23)17-16-34-28(37)20-36-25-10-6-7-11-26(25)39-27(29(36)38)18-22-12-14-24(15-13-22)30(31,32)33/h3-15,18,21H,16-17,19-20H2,1-2H3,(H,34,37)/p+1