3-[(2Z)-2-[(7-methoxy-1-methyl-[1]benzofuro[3,2-d][1,3]thiazol-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate

Systemtic Name: 3-[(2Z)-2-[(7-methoxy-1-methyl-[1]benzofuro[3,2-d][1,3]thiazol-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate Openeye Name: 3-[(2Z)-2-[(7-methoxy-1-methyl-benzofuro[3,2-d]thiazol-1-ium-2-yl)methylene]-1,3-benzothiazol-3-yl]propane-1-sulfonate CAS Name: 3-[(2Z)-2-[(7-methoxy-1-methyl-2-benzofuro[3,2-d]thiazol-1-iumyl)methylidene]-1,3-benzothiazol-3-yl]-1-propanesulfonate IUPAC Name: 3-[(2Z)-2-[(7-methoxy-1-methyl-[1]benzofuro[3,2-d][1,3]thiazol-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate Traditional Name: 3-[(2Z)-2-[(7-methoxy-1-methyl-benzofuro[3,2-d]thiazol-1-ium-2-yl)methylene]-1,3-benzothiazol-3-yl]propane-1-sulfonate Formula: C22H20N2O5S3 MolecularWeight: 488.5996

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=C1C3=C(O2)C=CC(=C3)OC)C=C4N(C5=CC=CC=C5S4)CCCS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(SC2=C1C3=C(O2)C=CC(=C3)OC)/C=C\4/N(C5=CC=CC=C5S4)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C22H20N2O5S3/c1-23-19(31-22-21(23)15-12-14(28-2)8-9-17(15)29-22)13-20-24(10-5-11-32(25,26)27)16-6-3-4-7-18(16)30-20/h3-4,6-9,12-13H,5,10-11H2,1-2H3