methyl 5-methyl-3-oxidanylidene-4-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]-1H-pyrazole-2-carboxylate

Systemtic Name: methyl 5-methyl-3-oxidanylidene-4-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]-1H-pyrazole-2-carboxylate Openeye Name: methyl 5-methyl-3-oxo-4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)-1H-pyrazole-2-carboxylate CAS Name: 5-methyl-3-oxo-4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)-1H-pyrazole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-3-oxo-4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)-1H-pyrazole-2-carboxylate Traditional Name: 5-keto-3-methyl-4-(1,1,3-triketo-1,2-benzothiazol-2-yl)-3-pyrazoline-1-carboxylic acid methyl ester Formula: C13H11N3O6S MolecularWeight: 337.30794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C(=O)OC)N2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CC1=C(C(=O)N(N1)C(=O)OC)N2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C13H11N3O6S/c1-7-10(12(18)15(14-7)13(19)22-2)16-11(17)8-5-3-4-6-9(8)23(16,20)21/h3-6,14H,1-2H3