propyl 5-aminocarbonyl-4-methyl-2-[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: propyl 5-aminocarbonyl-4-methyl-2-[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: propyl 5-carbamoyl-4-methyl-2-[[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[2-(5-methyl-3,4-dinitro-1-pyrazolyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 5-carbamoyl-4-methyl-2-[[2-(5-methyl-3,4-dinitropyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)acetyl]amino]thiophene-3-carboxylic acid propyl ester Formula: C16H18N6O8S MolecularWeight: 454.41452

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C16H18N6O8S/c1-4-5-30-16(25)10-7(2)12(13(17)24)31-15(10)18-9(23)6-20-8(3)11(21(26)27)14(19-20)22(28)29/h4-6H2,1-3H3,(H2,17,24)(H,18,23)