methyl 5-ethyl-2-[[2-(2-nitrophenyl)ethanoylamino]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-[[2-(2-nitrophenyl)ethanoylamino]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[[[2-(2-nitrophenyl)acetyl]amino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[[2-(2-nitrophenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[[[2-(2-nitrophenyl)acetyl]amino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[[2-(2-nitrophenyl)acetyl]amino]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C17H18N4O5S2 MolecularWeight: 422.47862

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NNC(=O)CC2=CC=CC=C2[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NNC(=O)CC2=CC=CC=C2[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H18N4O5S2/c1-3-11-9-12(16(23)26-2)15(28-11)18-17(27)20-19-14(22)8-10-6-4-5-7-13(10)21(24)25/h4-7,9H,3,8H2,1-2H3,(H,19,22)(H2,18,20,27)