ethyl 4-[(4E)-5-oxidanylidene-3-propyl-4-(thiophen-2-ylmethylidene)pyrazol-1-yl]benzoate

Systemtic Name: ethyl 4-[(4E)-5-oxidanylidene-3-propyl-4-(thiophen-2-ylmethylidene)pyrazol-1-yl]benzoate Openeye Name: ethyl 4-[(4E)-5-oxo-3-propyl-4-(2-thienylmethylene)pyrazol-1-yl]benzoate CAS Name: 4-[(4E)-5-oxo-3-propyl-4-(thiophen-2-ylmethylidene)-1-pyrazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4E)-5-oxo-3-propyl-4-(thiophen-2-ylmethylidene)pyrazol-1-yl]benzoate Traditional Name: 4-[(4E)-5-keto-3-propyl-4-(2-thenylidene)-2-pyrazolin-1-yl]benzoic acid ethyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CC2=CC=CS2)C3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/C2=CC=CS2)C3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C20H20N2O3S/c1-3-6-18-17(13-16-7-5-12-26-16)19(23)22(21-18)15-10-8-14(9-11-15)20(24)25-4-2/h5,7-13H,3-4,6H2,1-2H3/b17-13+