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

Systemtic Name: ethyl 2-[[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[2-(3-methoxy-4-nitro-1-pyrazolyl)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H24N6O6S2 MolecularWeight: 532.59256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NNC(=O)C(C)N3C=C(C(=N3)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NNC(=O)C(C)N3C=C(C(=N3)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O6S2/c1-5-34-21(30)17-16(14-9-7-6-8-10-14)13(3)36-20(17)23-22(35)25-24-18(29)12(2)27-11-15(28(31)32)19(26-27)33-4/h6-12H,5H2,1-4H3,(H,24,29)(H2,23,25,35)