O3-ethyl O1-methyl 5-[(2-methoxyphenyl)carbonylcarbamothioylamino]pyrazole-1,3-dicarboxylate

Systemtic Name: O3-ethyl O1-methyl 5-[(2-methoxyphenyl)carbonylcarbamothioylamino]pyrazole-1,3-dicarboxylate Openeye Name: O3-ethyl O1-methyl 5-[(2-methoxybenzoyl)carbamothioylamino]pyrazole-1,3-dicarboxylate CAS Name: 5-[[[[(2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]pyrazole-1,3-dicarboxylic acid O3-ethyl ester O1-methyl ester IUPAC Name: 3-O-ethyl 1-O-methyl 5-[(2-methoxybenzoyl)carbamothioylamino]pyrazole-1,3-dicarboxylate Traditional Name: 5-(o-anisoylthiocarbamoylamino)pyrazole-1,3-dicarboxylic acid O3-ethyl ester O1-methyl ester Formula: C17H18N4O6S MolecularWeight: 406.41302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)NC(=S)NC(=O)C2=CC=CC=C2OC)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)NC(=S)NC(=O)C2=CC=CC=C2OC)C(=O)OC

InChI

InChI=1S/C17H18N4O6S/c1-4-27-15(23)11-9-13(21(20-11)17(24)26-3)18-16(28)19-14(22)10-7-5-6-8-12(10)25-2/h5-9H,4H2,1-3H3,(H2,18,19,22,28)