thiophen-2-ylmethyl 8-ethoxy-5-oxidanidyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate

Systemtic Name: thiophen-2-ylmethyl 8-ethoxy-5-oxidanidyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate Openeye Name: 2-thienylmethyl 8-ethoxy-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate CAS Name: 8-ethoxy-5-oxido-3-pyrazolo[5,1-c][1,2,4]benzotriazin-5-iumcarboxylic acid thiophen-2-ylmethyl ester IUPAC Name: thiophen-2-ylmethyl 8-ethoxy-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate Traditional Name: 8-ethoxy-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylic acid 2-thenyl ester Formula: C17H14N4O4S MolecularWeight: 370.38246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[N+](=NC3=C(C=NN23)C(=O)OCC4=CC=CS4)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)[N+](=NC3=C(C=NN23)C(=O)OCC4=CC=CS4)[O-]

InChI

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