ethyl 3-azanyl-1-(2-hydroxyphenyl)carbonyl-5-methylsulfanyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 3-azanyl-1-(2-hydroxyphenyl)carbonyl-5-methylsulfanyl-pyrazole-4-carboxylate Openeye Name: ethyl 3-amino-1-(2-hydroxybenzoyl)-5-methylsulfanyl-pyrazole-4-carboxylate CAS Name: 3-amino-1-[(2-hydroxyphenyl)-oxomethyl]-5-(methylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-1-(2-hydroxybenzoyl)-5-methylsulfanylpyrazole-4-carboxylate Traditional Name: 3-amino-5-(methylthio)-1-salicyloyl-pyrazole-4-carboxylic acid ethyl ester Formula: C14H15N3O4S MolecularWeight: 321.3516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1N)C(=O)C2=CC=CC=C2O)SC

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1N)C(=O)C2=CC=CC=C2O)SC

InChI

InChI=1S/C14H15N3O4S/c1-3-21-14(20)10-11(15)16-17(13(10)22-2)12(19)8-6-4-5-7-9(8)18/h4-7,18H,3H2,1-2H3,(H2,15,16)