diethyl 3-methyl-5-[(5-nitropyridin-2-yl)carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[(5-nitropyridin-2-yl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(5-nitro-2-pyridyl)carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[(5-nitro-2-pyridinyl)amino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(5-nitropyridin-2-yl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(5-nitro-2-pyridyl)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C17H18N4O6S2 MolecularWeight: 438.47802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O6S2/c1-4-26-15(22)12-9(3)13(16(23)27-5-2)29-14(12)20-17(28)19-11-7-6-10(8-18-11)21(24)25/h6-8H,4-5H2,1-3H3,(H2,18,19,20,28)