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

Systemtic Name: dimethyl 3-methyl-5-[(5-nitropyridin-2-yl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C15H14N4O6S2 MolecularWeight: 410.42486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C15H14N4O6S2/c1-7-10(13(20)24-2)12(27-11(7)14(21)25-3)18-15(26)17-9-5-4-8(6-16-9)19(22)23/h4-6H,1-3H3,(H2,16,17,18,26)