ethyl 5-isocyanatosulfonyl-1-quinolin-2-yl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-isocyanatosulfonyl-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-isocyanatosulfonyl-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-isocyanatosulfonyl-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-isocyanatosulfonyl-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-isocyanatosulfonyl-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C16H12N4O5S MolecularWeight: 372.35528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)S(=O)(=O)N=C=O

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)S(=O)(=O)N=C=O

InChI

InChI=1S/C16H12N4O5S/c1-2-25-16(22)12-9-17-20(15(12)26(23,24)18-10-21)14-8-7-11-5-3-4-6-13(11)19-14/h3-9H,2H2,1H3