methyl 5-(diethylcarbamoyl)-2-[(4-ethoxy-2-nitro-phenyl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-[(4-ethoxy-2-nitro-phenyl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-[(4-ethoxy-2-nitro-phenyl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-[(4-ethoxy-2-nitrophenyl)carbamothioylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[(4-ethoxy-2-nitro-phenyl)thiocarbamoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H26N4O6S2 MolecularWeight: 494.58434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O6S2/c1-6-24(7-2)19(26)17-12(4)16(20(27)30-5)18(33-17)23-21(32)22-14-10-9-13(31-8-3)11-15(14)25(28)29/h9-11H,6-8H2,1-5H3,(H2,22,23,32)