diethyl 3-methyl-5-[[2-(3-methyl-4-nitro-phenoxy)ethanoylamino]carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[[2-(3-methyl-4-nitro-phenoxy)ethanoylamino]carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[[2-(3-methyl-4-nitro-phenoxy)acetyl]amino]carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[[2-(3-methyl-4-nitrophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[[2-(3-methyl-4-nitro-phenoxy)acetyl]amino]thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H24N4O8S2 MolecularWeight: 524.56726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NNC(=O)COC2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NNC(=O)COC2=CC(=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C21H24N4O8S2/c1-5-31-19(27)16-12(4)17(20(28)32-6-2)35-18(16)22-21(34)24-23-15(26)10-33-13-7-8-14(25(29)30)11(3)9-13/h7-9H,5-6,10H2,1-4H3,(H,23,26)(H2,22,24,34)