2-(1,3-benzothiazol-2-yl)-5-(2-ethoxy-2-oxidanylidene-ethyl)pyrazol-3-olate

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-(2-ethoxy-2-oxidanylidene-ethyl)pyrazol-3-olate Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-(2-ethoxy-2-oxo-ethyl)pyrazol-3-olate CAS Name: 2-(1,3-benzothiazol-2-yl)-5-(2-ethoxy-2-oxoethyl)-3-pyrazololate IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-(2-ethoxy-2-oxoethyl)pyrazol-3-olate Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-(2-ethoxy-2-keto-ethyl)pyrazol-3-olate Formula: C14H12N3O3S- MolecularWeight: 302.32838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=C1)[O-])C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)CC1=NN(C(=C1)[O-])C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C14H13N3O3S/c1-2-20-13(19)8-9-7-12(18)17(16-9)14-15-10-5-3-4-6-11(10)21-14/h3-7,18H,2,8H2,1H3/p-1