S-(1,3-benzothiazol-2-yl) 5-azanyl-2-(methylamino)pentanethioate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: S-(1,3-benzothiazol-2-yl) 5-azanyl-2-(methylamino)pentanethioate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: S-(1,3-benzothiazol-2-yl) 5-amino-2-(methylamino)pentanethioate; 2,2,2-trifluoroacetic acid CAS Name: 5-amino-2-(methylamino)pentanethioic acid S-(1,3-benzothiazol-2-yl) ester; 2,2,2-trifluoroacetic acid IUPAC Name: S-(1,3-benzothiazol-2-yl) 5-amino-2-(methylamino)pentanethioate; 2,2,2-trifluoroacetic acid Traditional Name: 5-amino-2-(methylamino)pentanethioic acid S-(1,3-benzothiazol-2-yl) ester; 2,2,2-trifluoroacetic acid Formula: C15H18F3N3O3S2 MolecularWeight: 409.44693

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CCCN)C(=O)SC1=NC2=CC=CC=C2S1.C(=O)(C(F)(F)F)O

Isomeric SMILES

CNC(CCCN)C(=O)SC1=NC2=CC=CC=C2S1.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C13H17N3OS2.C2HF3O2/c1-15-10(6-4-8-14)12(17)19-13-16-9-5-2-3-7-11(9)18-13;3-2(4,5)1(6)7/h2-3,5,7,10,15H,4,6,8,14H2,1H3;(H,6,7)