methyl 5-(diethylcarbamoyl)-2-[[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]carbamothioylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-[[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]carbamothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-[[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]carbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[[[2-(3-methoxy-4-nitro-1-pyrazolyl)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-[[2-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]carbamothioylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]thiocarbamoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H27N7O7S2 MolecularWeight: 541.60108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NNC(=O)C(C)N2C=C(C(=N2)OC)[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NNC(=O)C(C)N2C=C(C(=N2)OC)[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C20H27N7O7S2/c1-7-25(8-2)18(29)14-10(3)13(19(30)34-6)17(36-14)21-20(35)23-22-15(28)11(4)26-9-12(27(31)32)16(24-26)33-5/h9,11H,7-8H2,1-6H3,(H,22,28)(H2,21,23,35)