2-[3-(2H-benzotriazol-5-yloxymethylamino)phenothiazin-10-yl]propanoic acid

Systemtic Name: 2-[3-(2H-benzotriazol-5-yloxymethylamino)phenothiazin-10-yl]propanoic acid Openeye Name: 2-[3-(2H-benzotriazol-5-yloxymethylamino)phenothiazin-10-yl]propanoic acid CAS Name: 2-[3-(2H-benzotriazol-5-yloxymethylamino)-10-phenothiazinyl]propanoic acid IUPAC Name: 2-[3-(2H-benzotriazol-5-yloxymethylamino)phenothiazin-10-yl]propanoic acid Traditional Name: 2-[3-(2H-benzotriazol-5-yloxymethylamino)phenothiazin-10-yl]propionic acid Formula: C22H19N5O3S MolecularWeight: 433.48296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C2=C(C=C(C=C2)NCOC3=CC4=NNN=C4C=C3)SC5=CC=CC=C51

Isomeric SMILES

CC(C(=O)O)N1C2=C(C=C(C=C2)NCOC3=CC4=NNN=C4C=C3)SC5=CC=CC=C51

InChI

InChI=1S/C22H19N5O3S/c1-13(22(28)29)27-18-4-2-3-5-20(18)31-21-10-14(6-9-19(21)27)23-12-30-15-7-8-16-17(11-15)25-26-24-16/h2-11,13,23H,12H2,1H3,(H,28,29)(H,24,25,26)