[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-(5-methylfuran-2-yl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-(5-methylfuran-2-yl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 3-(5-methyl-2-furyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(5-methyl-2-furanyl)-1-phenyl-4-pyrazolecarboxylic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(5-methyl-2-furyl)-1-phenyl-pyrazole-4-carboxylic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C22H16N4O4S MolecularWeight: 432.45184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NN(C=C2C(=O)OCC(=O)NC3=C(C=CS3)C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(O1)C2=NN(C=C2C(=O)OCC(=O)NC3=C(C=CS3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C22H16N4O4S/c1-14-7-8-18(30-14)20-17(12-26(25-20)16-5-3-2-4-6-16)22(28)29-13-19(27)24-21-15(11-23)9-10-31-21/h2-10,12H,13H2,1H3,(H,24,27)