O3-ethyl O1-methyl 5-(phenylcarbonylcarbamothioylamino)pyrazole-1,3-dicarboxylate

Systemtic Name: O3-ethyl O1-methyl 5-(phenylcarbonylcarbamothioylamino)pyrazole-1,3-dicarboxylate Openeye Name: O3-ethyl O1-methyl 5-(benzoylcarbamothioylamino)pyrazole-1,3-dicarboxylate CAS Name: 5-[[benzamido(sulfanylidene)methyl]amino]pyrazole-1,3-dicarboxylic acid O3-ethyl ester O1-methyl ester IUPAC Name: 3-O-ethyl 1-O-methyl 5-(benzoylcarbamothioylamino)pyrazole-1,3-dicarboxylate Traditional Name: 5-(benzoylthiocarbamoylamino)pyrazole-1,3-dicarboxylic acid O3-ethyl ester O1-methyl ester Formula: C16H16N4O5S MolecularWeight: 376.38704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)NC(=S)NC(=O)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)NC(=S)NC(=O)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C16H16N4O5S/c1-3-25-14(22)11-9-12(20(19-11)16(23)24-2)17-15(26)18-13(21)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H2,17,18,21,26)