diethyl (2E)-2-[(3-oxidanylidene-5-thiophen-2-yl-1,2-dihydropyrazol-4-yl)methylidene]pyrrole-3,4-dicarboxylate

Systemtic Name: diethyl (2E)-2-[(3-oxidanylidene-5-thiophen-2-yl-1,2-dihydropyrazol-4-yl)methylidene]pyrrole-3,4-dicarboxylate Openeye Name: diethyl (2E)-2-[[3-oxo-5-(2-thienyl)-1,2-dihydropyrazol-4-yl]methylene]pyrrole-3,4-dicarboxylate CAS Name: (2E)-2-[(3-oxo-5-thiophen-2-yl-1,2-dihydropyrazol-4-yl)methylidene]pyrrole-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl (2E)-2-[(3-oxo-5-thiophen-2-yl-1,2-dihydropyrazol-4-yl)methylidene]pyrrole-3,4-dicarboxylate Traditional Name: (2E)-2-[[3-keto-5-(2-thienyl)-3-pyrazolin-4-yl]methylene]pyrrole-3,4-dicarboxylic acid diethyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC2=C(NNC2=O)C3=CC=CS3)N=C1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(/C(=C\C2=C(NNC2=O)C3=CC=CS3)/N=C1)C(=O)OCC

InChI

InChI=1S/C18H17N3O5S/c1-3-25-17(23)11-9-19-12(14(11)18(24)26-4-2)8-10-15(20-21-16(10)22)13-6-5-7-27-13/h5-9H,3-4H2,1-2H3,(H2,20,21,22)/b12-8+