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

Systemtic Name: 5-[1-[(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)amino]-2-ethoxy-2-oxidanylidene-ethyl]-2-methyl-furan-3-carboxylic acid Openeye Name: 5-[1-[(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)amino]-2-ethoxy-2-oxo-ethyl]-2-methyl-furan-3-carboxylic acid CAS Name: 5-[1-[[4-cyano-3-(methylthio)-1H-pyrazol-5-yl]amino]-2-ethoxy-2-oxoethyl]-2-methyl-3-furancarboxylic acid IUPAC Name: 5-[1-[(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)amino]-2-ethoxy-2-oxoethyl]-2-methylfuran-3-carboxylic acid Traditional Name: 5-[1-[[4-cyano-3-(methylthio)-1H-pyrazol-5-yl]amino]-2-ethoxy-2-keto-ethyl]-2-methyl-3-furoic acid Formula: C15H16N4O5S MolecularWeight: 364.37634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC(=C(O1)C)C(=O)O)NC2=C(C(=NN2)SC)C#N

Isomeric SMILES

CCOC(=O)C(C1=CC(=C(O1)C)C(=O)O)NC2=C(C(=NN2)SC)C#N

InChI

InChI=1S/C15H16N4O5S/c1-4-23-15(22)11(10-5-8(14(20)21)7(2)24-10)17-12-9(6-16)13(25-3)19-18-12/h5,11H,4H2,1-3H3,(H,20,21)(H2,17,18,19)