(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl) 3-methyl-2-oxidanylidene-1,3-benzoxazole-6-sulfonate

Systemtic Name: (2-methylthieno[2,3-e][1,3]benzothiazol-5-yl) 3-methyl-2-oxidanylidene-1,3-benzoxazole-6-sulfonate Openeye Name: (2-methylthieno[2,3-e][1,3]benzothiazol-5-yl) 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonate CAS Name: 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonic acid (2-methyl-5-thieno[2,3-e][1,3]benzothiazolyl) ester IUPAC Name: (2-methylthieno[2,3-e][1,3]benzothiazol-5-yl) 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonate Traditional Name: 2-keto-3-methyl-1,3-benzoxazole-6-sulfonic acid (2-methylthieno[2,3-e][1,3]benzothiazol-5-yl) ester Formula: C18H12N2O5S3 MolecularWeight: 432.49328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C3=C2SC=C3)OS(=O)(=O)C4=CC5=C(C=C4)N(C(=O)O5)C

Isomeric SMILES

CC1=NC2=C(S1)C=C(C3=C2SC=C3)OS(=O)(=O)C4=CC5=C(C=C4)N(C(=O)O5)C

InChI

InChI=1S/C18H12N2O5S3/c1-9-19-16-15(27-9)8-13(11-5-6-26-17(11)16)25-28(22,23)10-3-4-12-14(7-10)24-18(21)20(12)2/h3-8H,1-2H3