methyl 4-ethyl-5-methyl-2-[(5-nitropyridin-2-yl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-5-methyl-2-[(5-nitropyridin-2-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[(5-nitro-2-pyridyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[[(5-nitro-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[(5-nitropyridin-2-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[(5-nitro-2-pyridyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C15H16N4O4S2 MolecularWeight: 380.44194

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C15H16N4O4S2/c1-4-10-8(2)25-13(12(10)14(20)23-3)18-15(24)17-11-6-5-9(7-16-11)19(21)22/h5-7H,4H2,1-3H3,(H2,16,17,18,24)