2-[[5-ethyl-2-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]phenyl]amino]propan-2-ol ethanoate

Systemtic Name: 2-[[5-ethyl-2-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]phenyl]amino]propan-2-ol ethanoate Openeye Name: 2-[5-ethyl-2-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]anilino]propan-2-ol acetate CAS Name: 2-[5-ethyl-2-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]anilino]-2-propanol acetate IUPAC Name: 2-[5-ethyl-2-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]anilino]propan-2-ol acetate Traditional Name: 2-[5-ethyl-2-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]anilino]propan-2-ol acetate Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OC)C)NC(C)(C)O.CC(=O)[O-]

Isomeric SMILES

CCC1=CC(=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OC)C)NC(C)(C)O.CC(=O)[O-]

InChI

InChI=1S/C20H24N4O2S.C2H4O2/c1-6-13-7-9-15(16(11-13)21-20(2,3)25)22-23-19-24(4)17-10-8-14(26-5)12-18(17)27-19;1-2(3)4/h7-12,25H,6H2,1-5H3;1H3,(H,3,4)