methyl 4-ethyl-5-methyl-2-[[2-(4-methyl-2-nitro-phenoxy)propanoylamino]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-5-methyl-2-[[2-(4-methyl-2-nitro-phenoxy)propanoylamino]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[[2-(4-methyl-2-nitro-phenoxy)propanoylamino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[[[2-(4-methyl-2-nitrophenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[[2-(4-methyl-2-nitrophenoxy)propanoylamino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[[2-(4-methyl-2-nitro-phenoxy)propanoylamino]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C20H24N4O6S2 MolecularWeight: 480.55776

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C(C)OC2=C(C=C(C=C2)C)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C(C)OC2=C(C=C(C=C2)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H24N4O6S2/c1-6-13-12(4)32-18(16(13)19(26)29-5)21-20(31)23-22-17(25)11(3)30-15-8-7-10(2)9-14(15)24(27)28/h7-9,11H,6H2,1-5H3,(H,22,25)(H2,21,23,31)