sodium 2-(1,3-benzothiazol-2-yl)-5-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-3-oxidanylidene-pyrazolo[4,3-c]pyridin-6-olate

Systemtic Name: sodium 2-(1,3-benzothiazol-2-yl)-5-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-3-oxidanylidene-pyrazolo[4,3-c]pyridin-6-olate Openeye Name: sodium 2-(1,3-benzothiazol-2-yl)-5-(2-methoxy-2-oxo-ethyl)-4-methyl-3-oxo-pyrazolo[4,3-c]pyridin-6-olate CAS Name: sodium 2-(1,3-benzothiazol-2-yl)-5-(2-methoxy-2-oxoethyl)-4-methyl-3-oxo-6-pyrazolo[4,3-c]pyridinolate IUPAC Name: sodium 2-(1,3-benzothiazol-2-yl)-5-(2-methoxy-2-oxoethyl)-4-methyl-3-oxopyrazolo[4,3-c]pyridin-6-olate Traditional Name: sodium 2-(1,3-benzothiazol-2-yl)-3-keto-5-(2-keto-2-methoxy-ethyl)-4-methyl-pyrazolo[4,3-c]pyridin-6-olate Formula: C17H13N4NaO4S MolecularWeight: 392.36429

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C=C(N1CC(=O)OC)[O-].[Na+]

Isomeric SMILES

CC1=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C=C(N1CC(=O)OC)[O-].[Na+]

InChI

InChI=1S/C17H14N4O4S.Na/c1-9-15-11(7-13(22)20(9)8-14(23)25-2)19-21(16(15)24)17-18-10-5-3-4-6-12(10)26-17;/h3-7,22H,8H2,1-2H3;/q;+1/p-1