ethyl 5-[1-[(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)amino]-2-ethoxy-2-oxidanylidene-ethyl]-2-methyl-furan-3-carboxylate

Systemtic Name: ethyl 5-[1-[(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)amino]-2-ethoxy-2-oxidanylidene-ethyl]-2-methyl-furan-3-carboxylate Openeye Name: ethyl 5-[1-[(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)amino]-2-ethoxy-2-oxo-ethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[1-[[4-cyano-3-(methylthio)-1H-pyrazol-5-yl]amino]-2-ethoxy-2-oxoethyl]-2-methyl-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[1-[(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)amino]-2-ethoxy-2-oxoethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[1-[[4-cyano-3-(methylthio)-1H-pyrazol-5-yl]amino]-2-ethoxy-2-keto-ethyl]-2-methyl-furan-3-carboxylic acid ethyl ester Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1)C(C(=O)OCC)NC2=C(C(=NN2)SC)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1)C(C(=O)OCC)NC2=C(C(=NN2)SC)C#N)C

InChI

InChI=1S/C17H20N4O5S/c1-5-24-16(22)10-7-12(26-9(10)3)13(17(23)25-6-2)19-14-11(8-18)15(27-4)21-20-14/h7,13H,5-6H2,1-4H3,(H2,19,20,21)