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

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(5-nitropyridin-2-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(5-nitro-2-pyridyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[[(5-nitro-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(5-nitropyridin-2-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[(5-nitro-2-pyridyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C18H21N5O5S2 MolecularWeight: 451.51984

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=NC=C(C=C2)[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=NC=C(C=C2)[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C18H21N5O5S2/c1-5-22(6-2)16(24)14-10(3)13(17(25)28-4)15(30-14)21-18(29)20-12-8-7-11(9-19-12)23(26)27/h7-9H,5-6H2,1-4H3,(H2,19,20,21,29)