ethyl 2-[[(1E)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxidanylidene-1-pyrazol-3-ylidene-ethyl]amino]oxyethanoate

Systemtic Name: ethyl 2-[[(1E)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxidanylidene-1-pyrazol-3-ylidene-ethyl]amino]oxyethanoate Openeye Name: ethyl 2-[[(1E)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxo-1-pyrazol-3-ylidene-ethyl]amino]oxyacetate CAS Name: 2-[[(1E)-2-(1,3-benzothiazol-2-ylthio)-2-oxo-1-(3-pyrazolylidene)ethyl]amino]oxyacetic acid ethyl ester IUPAC Name: ethyl 2-[[(1E)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxo-1-pyrazol-3-ylideneethyl]amino]oxyacetate Traditional Name: 2-[[(1E)-2-(1,3-benzothiazol-2-ylthio)-2-keto-1-pyrazol-3-ylidene-ethyl]amino]oxyacetic acid ethyl ester Formula: C16H14N4O4S2 MolecularWeight: 390.43676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CONC(=C1C=CN=N1)C(=O)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)CON/C(=C/1\C=CN=N1)/C(=O)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H14N4O4S2/c1-2-23-13(21)9-24-20-14(11-7-8-17-19-11)15(22)26-16-18-10-5-3-4-6-12(10)25-16/h3-8,20H,2,9H2,1H3/b14-11+