2-(1,3-benzothiazol-2-yl)-4-ethanoyl-5-(2-methoxy-2-oxidanylidene-ethyl)pyrazol-3-olate

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-ethanoyl-5-(2-methoxy-2-oxidanylidene-ethyl)pyrazol-3-olate Openeye Name: 4-acetyl-2-(1,3-benzothiazol-2-yl)-5-(2-methoxy-2-oxo-ethyl)pyrazol-3-olate CAS Name: 4-acetyl-2-(1,3-benzothiazol-2-yl)-5-(2-methoxy-2-oxoethyl)-3-pyrazololate IUPAC Name: 4-acetyl-2-(1,3-benzothiazol-2-yl)-5-(2-methoxy-2-oxoethyl)pyrazol-3-olate Traditional Name: 4-acetyl-2-(1,3-benzothiazol-2-yl)-5-(2-keto-2-methoxy-ethyl)pyrazol-3-olate Formula: C15H12N3O4S- MolecularWeight: 330.33848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N(N=C1CC(=O)OC)C2=NC3=CC=CC=C3S2)[O-]

Isomeric SMILES

CC(=O)C1=C(N(N=C1CC(=O)OC)C2=NC3=CC=CC=C3S2)[O-]

InChI

InChI=1S/C15H13N3O4S/c1-8(19)13-10(7-12(20)22-2)17-18(14(13)21)15-16-9-5-3-4-6-11(9)23-15/h3-6,21H,7H2,1-2H3/p-1