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

Systemtic Name: methyl 5-aminocarbonyl-4-methyl-2-[2-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H19N5O6S MolecularWeight: 409.41696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O6S/c1-5-9(20-7(2)6-10(19-20)21(25)26)14(23)18-15-11(16(24)27-4)8(3)12(28-15)13(17)22/h6,9H,5H2,1-4H3,(H2,17,22)(H,18,23)