(2E)-2-[(4-carboxyphenyl)sulfonylhydrazinylidene]-3-methyl-1,3-benzothiazole-6-carboxylic acid

Systemtic Name: (2E)-2-[(4-carboxyphenyl)sulfonylhydrazinylidene]-3-methyl-1,3-benzothiazole-6-carboxylic acid Openeye Name: (2E)-2-[(4-carboxyphenyl)sulfonylhydrazono]-3-methyl-1,3-benzothiazole-6-carboxylic acid CAS Name: (2E)-2-[(4-carboxyphenyl)sulfonylhydrazinylidene]-3-methyl-1,3-benzothiazole-6-carboxylic acid IUPAC Name: (2E)-2-[(4-carboxyphenyl)sulfonylhydrazinylidene]-3-methyl-1,3-benzothiazole-6-carboxylic acid Traditional Name: (2E)-2-[(4-carboxyphenyl)sulfonylhydrazono]-3-methyl-1,3-benzothiazole-6-carboxylic acid Formula: C16H13N3O6S2 MolecularWeight: 407.42092

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)O)SC1=NNS(=O)(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN\1C2=C(C=C(C=C2)C(=O)O)S/C1=N/NS(=O)(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H13N3O6S2/c1-19-12-7-4-10(15(22)23)8-13(12)26-16(19)17-18-27(24,25)11-5-2-9(3-6-11)14(20)21/h2-8,18H,1H3,(H,20,21)(H,22,23)/b17-16+