2-methyl-1,3-benzothiazole-5,6-dicarboxylate

Systemtic Name: 2-methyl-1,3-benzothiazole-5,6-dicarboxylate Openeye Name: 2-methyl-1,3-benzothiazole-5,6-dicarboxylate CAS Name: 2-methyl-1,3-benzothiazole-5,6-dicarboxylate IUPAC Name: 2-methyl-1,3-benzothiazole-5,6-dicarboxylate Traditional Name: 2-methyl-1,3-benzothiazole-5,6-dicarboxylate Formula: C10H5NO4S-2 MolecularWeight: 235.216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C(=C2)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=NC2=C(S1)C=C(C(=C2)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C10H7NO4S/c1-4-11-7-2-5(9(12)13)6(10(14)15)3-8(7)16-4/h2-3H,1H3,(H,12,13)(H,14,15)/p-2