ethyl 2-(4-methoxyphenyl)carbonyl-5-methylsulfanyl-3-oxidanylidene-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 2-(4-methoxyphenyl)carbonyl-5-methylsulfanyl-3-oxidanylidene-1H-pyrazole-4-carboxylate Openeye Name: ethyl 2-(4-methoxybenzoyl)-5-methylsulfanyl-3-oxo-1H-pyrazole-4-carboxylate CAS Name: 2-[(4-methoxyphenyl)-oxomethyl]-5-(methylthio)-3-oxo-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-methoxybenzoyl)-5-methylsulfanyl-3-oxo-1H-pyrazole-4-carboxylate Traditional Name: 5-keto-3-(methylthio)-1-p-anisoyl-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C15H16N2O5S MolecularWeight: 336.36294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN(C1=O)C(=O)C2=CC=C(C=C2)OC)SC

Isomeric SMILES

CCOC(=O)C1=C(NN(C1=O)C(=O)C2=CC=C(C=C2)OC)SC

InChI

InChI=1S/C15H16N2O5S/c1-4-22-15(20)11-12(23-3)16-17(14(11)19)13(18)9-5-7-10(21-2)8-6-9/h5-8,16H,4H2,1-3H3