methyl 5-aminocarbonyl-2-[[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanoyl]amino]-4-methyl-thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C(C)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C(C)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)C(=O)N

InChI

InChI=1S/C17H21N5O6S/c1-7(6-21-10(4)12(22(26)27)9(3)20-21)15(24)19-16-11(17(25)28-5)8(2)13(29-16)14(18)23/h7H,6H2,1-5H3,(H2,18,23)(H,19,24)