ethyl (4E)-4-[2-(2-methylsulfonyloxyethyl)-1H-pyrazol-5-ylidene]-5-propyl-pyrrole-3-carboxylate

Systemtic Name: ethyl (4E)-4-[2-(2-methylsulfonyloxyethyl)-1H-pyrazol-5-ylidene]-5-propyl-pyrrole-3-carboxylate Openeye Name: ethyl (4E)-4-[2-(2-methylsulfonyloxyethyl)-1H-pyrazol-5-ylidene]-5-propyl-pyrrole-3-carboxylate CAS Name: (4E)-4-[2-(2-methylsulfonyloxyethyl)-1H-pyrazol-5-ylidene]-5-propyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl (4E)-4-[2-(2-methylsulfonyloxyethyl)-1H-pyrazol-5-ylidene]-5-propylpyrrole-3-carboxylate Traditional Name: (4E)-4-[1-(2-methylsulfonyloxyethyl)-3-pyrazolin-3-ylidene]-5-propyl-pyrrole-3-carboxylic acid ethyl ester Formula: C16H23N3O5S MolecularWeight: 369.43592

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=C(C1=C2C=CN(N2)CCOS(=O)(=O)C)C(=O)OCC

Isomeric SMILES

CCCC\1=NC=C(/C1=C\2/C=CN(N2)CCOS(=O)(=O)C)C(=O)OCC

InChI

InChI=1S/C16H23N3O5S/c1-4-6-13-15(12(11-17-13)16(20)23-5-2)14-7-8-19(18-14)9-10-24-25(3,21)22/h7-8,11,18H,4-6,9-10H2,1-3H3/b15-14+