ethyl 5-aminocarbonyl-4-methyl-2-[2-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-aminocarbonyl-4-methyl-2-[2-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-carbamoyl-4-methyl-2-[2-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[2-(5-methyl-3-nitro-1-pyrazolyl)-1-oxobutyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamoyl-4-methyl-2-[2-(5-methyl-3-nitropyrazol-1-yl)butanoylamino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[2-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C17H21N5O6S MolecularWeight: 423.44354

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C(=O)N)C)C(=O)OCC)N2C(=CC(=N2)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C(=O)N)C)C(=O)OCC)N2C(=CC(=N2)[N+](=O)[O-])C

InChI

InChI=1S/C17H21N5O6S/c1-5-10(21-8(3)7-11(20-21)22(26)27)15(24)19-16-12(17(25)28-6-2)9(4)13(29-16)14(18)23/h7,10H,5-6H2,1-4H3,(H2,18,23)(H,19,24)